1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methylbicyclo[3.2.0]heptane;2-methylbicyclo[4.1.0]heptane;3-methylbicyclo[3.2.0]heptane;3-methylbicyclo[4.1.0]heptane;7-methylbicyclo[4.1.0]heptane;2-methylbicyclo[3.1.0]hexane;3-methylbicyclo[3.1.0]hexane;6-methylbicyclo[3.1.0]hexane;3-methylbicyclo[4.2.0]octane;7-methylbicyclo[4.2.0]octane;2-methylbicyclo[2.1.0]pentane;5-methylbicyclo[2.1.0]pentane;methylcyclobutane;methylcyclopropane

C120H212 — CID 162060466

About 1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methylbicyclo[3.2.0]heptane;2-methylbicyclo[4.1.0]heptane;3-methylbicyclo[3.2.0]heptane;3-methylbicyclo[4.1.0]heptane;7-methylbicyclo[4.1.0]heptane;2-methylbicyclo[3.1.0]hexane;3-methylbicyclo[3.1.0]hexane;6-methylbicyclo[3.1.0]hexane;3-methylbicyclo[4.2.0]octane;7-methylbicyclo[4.2.0]octane;2-methylbicyclo[2.1.0]pentane;5-methylbicyclo[2.1.0]pentane;methylcyclobutane;methylcyclopropane

1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methylbicyclo[3.2.0]heptane;2-methylbicyclo[4.1.0]heptane;3-methylbicyclo[3.2.0]heptane;3-methylbicyclo[4.1.0]heptane;7-methylbicyclo[4.1.0]heptane;2-methylbicyclo[3.1.0]hexane;3-methylbicyclo[3.1.0]hexane;6-methylbicyclo[3.1.0]hexane;3-methylbicyclo[4.2.0]octane;7-methylbicyclo[4.2.0]octane;2-methylbicyclo[2.1.0]pentane;5-methylbicyclo[2.1.0]pentane;methylcyclobutane;methylcyclopropane (PubChem CID 162060466) has the molecular formula C120H212 and a molecular weight of 1655.02 g/mol. Its IUPAC name is 1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methylbicyclo[3.2.0]heptane;2-methylbicyclo[4.1.0]heptane;3-methylbicyclo[3.2.0]heptane;3-methylbicyclo[4.1.0]heptane;7-methylbicyclo[4.1.0]heptane;2-methylbicyclo[3.1.0]hexane;3-methylbicyclo[3.1.0]hexane;6-methylbicyclo[3.1.0]hexane;3-methylbicyclo[4.2.0]octane;7-methylbicyclo[4.2.0]octane;2-methylbicyclo[2.1.0]pentane;5-methylbicyclo[2.1.0]pentane;methylcyclobutane;methylcyclopropane.

Molecular Properties

• Compound Name: 1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methylbicyclo[3.2.0]heptane;2-methylbicyclo[4.1.0]heptane;3-methylbicyclo[3.2.0]heptane;3-methylbicyclo[4.1.0]heptane;7-methylbicyclo[4.1.0]heptane;2-methylbicyclo[3.1.0]hexane;3-methylbicyclo[3.1.0]hexane;6-methylbicyclo[3.1.0]hexane;3-methylbicyclo[4.2.0]octane;7-methylbicyclo[4.2.0]octane;2-methylbicyclo[2.1.0]pentane;5-methylbicyclo[2.1.0]pentane;methylcyclobutane;methylcyclopropane
• PubChem CID: 162060466
• Molecular Formula: C120H212
• Molecular Weight: 1655.02 g/mol
• Exact Mass: 1653.66
• IUPAC Name: 1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methylbicyclo[3.2.0]heptane;2-methylbicyclo[4.1.0]heptane;3-methylbicyclo[3.2.0]heptane;3-methylbicyclo[4.1.0]heptane;7-methylbicyclo[4.1.0]heptane;2-methylbicyclo[3.1.0]hexane;3-methylbicyclo[3.1.0]hexane;6-methylbicyclo[3.1.0]hexane;3-methylbicyclo[4.2.0]octane;7-methylbicyclo[4.2.0]octane;2-methylbicyclo[2.1.0]pentane;5-methylbicyclo[2.1.0]pentane;methylcyclobutane;methylcyclopropane
• SMILES: CC1C2CCC12.CC1C2CCCC12.CC1C2CCCCC12.CC1CC1.CC1CC2CC12.CC1CC2CC2C1.CC1CC2CCC2C1.CC1CC2CCCCC12.CC1CC2CCCCC2C1.CC1CCC1.CC1CCC2CC12.CC1CCC2CC2C1.CC1CCC2CCC12.CC1CCC2CCC2C1.CC1CCC2CCCCC12.CC1CCCC2CC12
• InChI: InChI=1S/2C10H18.2C9H16.5C8H14.3C7H12.2C6H10.C5H10.C4H8/c1-8-6-9-4-2-3-5-10(9)7-8;1-8-6-7-9-4-2-3-5-10(8)9;1-7-2-3-8-4-5-9(8)6-7;1-7-6-8-4-2-3-5-9(7)8;1-6-4-7-2-3-8(7)5-6;1-6-2-3-7-5-8(7)4-6;1-6-2-3-7-4-5-8(6)7;1-6-3-2-4-7-5-8(6)7;1-6-7-4-2-3-5-8(6)7;1-5-2-6-4-7(6)3-5;1-5-2-3-6-4-7(5)6;1-5-6-3-2-4-7(5)6;1-4-2-5-3-6(4)5;1-4-5-2-3-6(4)5;1-5-3-2-4-5;1-4-2-3-4/h2*8-10H,2-7H2,1H3;2*7-9H,2-6H2,1H3;5*6-8H,2-5H2,1H3;3*5-7H,2-4H2,1H3;2*4-6H,2-3H2,1H3;5H,2-4H2,1H3;4H,2-3H2,1H3
• InChIKey: YZTPUFAWGLPENA-UHFFFAOYSA-N
• XLogP: 37.03
• TPSA: 0.00 Ų
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1655.02
LogP ≤ 5	37.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methylbicyclo[3.2.0]heptane;2-methylbicyclo[4.1.0]heptane;3-methylbicyclo[3.2.0]heptane;3-methylbicyclo[4.1.0]heptane;7-methylbicyclo[4.1.0]heptane;2-methylbicyclo[3.1.0]hexane;3-methylbicyclo[3.1.0]hexane;6-methylbicyclo[3.1.0]hexane;3-methylbicyclo[4.2.0]octane;7-methylbicyclo[4.2.0]octane;2-methylbicyclo[2.1.0]pentane;5-methylbicyclo[2.1.0]pentane;methylcyclobutane;methylcyclopropane?

The IUPAC name of 1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methylbicyclo[3.2.0]heptane;2-methylbicyclo[4.1.0]heptane;3-methylbicyclo[3.2.0]heptane;3-methylbicyclo[4.1.0]heptane;7-methylbicyclo[4.1.0]heptane;2-methylbicyclo[3.1.0]hexane;3-methylbicyclo[3.1.0]hexane;6-methylbicyclo[3.1.0]hexane;3-methylbicyclo[4.2.0]octane;7-methylbicyclo[4.2.0]octane;2-methylbicyclo[2.1.0]pentane;5-methylbicyclo[2.1.0]pentane;methylcyclobutane;methylcyclopropane (CID 162060466) is 1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methylbicyclo[3.2.0]heptane;2-methylbicyclo[4.1.0]heptane;3-methylbicyclo[3.2.0]heptane;3-methylbicyclo[4.1.0]heptane;7-methylbicyclo[4.1.0]heptane;2-methylbicyclo[3.1.0]hexane;3-methylbicyclo[3.1.0]hexane;6-methylbicyclo[3.1.0]hexane;3-methylbicyclo[4.2.0]octane;7-methylbicyclo[4.2.0]octane;2-methylbicyclo[2.1.0]pentane;5-methylbicyclo[2.1.0]pentane;methylcyclobutane;methylcyclopropane.

What is the SMILES notation for 1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methylbicyclo[3.2.0]heptane;2-methylbicyclo[4.1.0]heptane;3-methylbicyclo[3.2.0]heptane;3-methylbicyclo[4.1.0]heptane;7-methylbicyclo[4.1.0]heptane;2-methylbicyclo[3.1.0]hexane;3-methylbicyclo[3.1.0]hexane;6-methylbicyclo[3.1.0]hexane;3-methylbicyclo[4.2.0]octane;7-methylbicyclo[4.2.0]octane;2-methylbicyclo[2.1.0]pentane;5-methylbicyclo[2.1.0]pentane;methylcyclobutane;methylcyclopropane?

The canonical SMILES for 1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methylbicyclo[3.2.0]heptane;2-methylbicyclo[4.1.0]heptane;3-methylbicyclo[3.2.0]heptane;3-methylbicyclo[4.1.0]heptane;7-methylbicyclo[4.1.0]heptane;2-methylbicyclo[3.1.0]hexane;3-methylbicyclo[3.1.0]hexane;6-methylbicyclo[3.1.0]hexane;3-methylbicyclo[4.2.0]octane;7-methylbicyclo[4.2.0]octane;2-methylbicyclo[2.1.0]pentane;5-methylbicyclo[2.1.0]pentane;methylcyclobutane;methylcyclopropane is CC1C2CCC12.CC1C2CCCC12.CC1C2CCCCC12.CC1CC1.CC1CC2CC12.CC1CC2CC2C1.CC1CC2CCC2C1.CC1CC2CCCCC12.CC1CC2CCCCC2C1.CC1CCC1.CC1CCC2CC12.CC1CCC2CC2C1.CC1CCC2CCC12.CC1CCC2CCC2C1.CC1CCC2CCCCC12.CC1CCCC2CC12.

What is the InChIKey of 1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methylbicyclo[3.2.0]heptane;2-methylbicyclo[4.1.0]heptane;3-methylbicyclo[3.2.0]heptane;3-methylbicyclo[4.1.0]heptane;7-methylbicyclo[4.1.0]heptane;2-methylbicyclo[3.1.0]hexane;3-methylbicyclo[3.1.0]hexane;6-methylbicyclo[3.1.0]hexane;3-methylbicyclo[4.2.0]octane;7-methylbicyclo[4.2.0]octane;2-methylbicyclo[2.1.0]pentane;5-methylbicyclo[2.1.0]pentane;methylcyclobutane;methylcyclopropane?

The InChIKey is YZTPUFAWGLPENA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18.2C9H16.5C8H14.3C7H12.2C6H10.C5H10.C4H8/c1-8-6-9-4-2-3-5-10(9)7-8;1-8-6-7-9-4-2-3-5-10(8)9;1-7-2-3-8-4-5-9(8)6-7;1-7-6-8-4-2-3-5-9(7)8;1-6-4-7-2-3-8(7)5-6;1-6-2-3-7-5-8(7)4-6;1-6-2-3-7-4-5-8(6)7;1-6-3-2-4-7-5-8(6)7;1-6-7-4-2-3-5-8(6)7;1-5-2-6-4-7(6)3-5;1-5-2-3-6-4-7(5)6;1-5-6-3-2-4-7(5)6;1-4-2-5-3-6(4)5;1-4-5-2-3-6(4)5;1-5-3-2-4-5;1-4-2-3-4/h2*8-10H,2-7H2,1H3;2*7-9H,2-6H2,1H3;5*6-8H,2-5H2,1H3;3*5-7H,2-4H2,1H3;2*4-6H,2-3H2,1H3;5H,2-4H2,1H3;4H,2-3H2,1H3.

What are the key properties of 1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methylbicyclo[3.2.0]heptane;2-methylbicyclo[4.1.0]heptane;3-methylbicyclo[3.2.0]heptane;3-methylbicyclo[4.1.0]heptane;7-methylbicyclo[4.1.0]heptane;2-methylbicyclo[3.1.0]hexane;3-methylbicyclo[3.1.0]hexane;6-methylbicyclo[3.1.0]hexane;3-methylbicyclo[4.2.0]octane;7-methylbicyclo[4.2.0]octane;2-methylbicyclo[2.1.0]pentane;5-methylbicyclo[2.1.0]pentane;methylcyclobutane;methylcyclopropane?

1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methylbicyclo[3.2.0]heptane;2-methylbicyclo[4.1.0]heptane;3-methylbicyclo[3.2.0]heptane;3-methylbicyclo[4.1.0]heptane;7-methylbicyclo[4.1.0]heptane;2-methylbicyclo[3.1.0]hexane;3-methylbicyclo[3.1.0]hexane;6-methylbicyclo[3.1.0]hexane;3-methylbicyclo[4.2.0]octane;7-methylbicyclo[4.2.0]octane;2-methylbicyclo[2.1.0]pentane;5-methylbicyclo[2.1.0]pentane;methylcyclobutane;methylcyclopropane has a molecular weight of 1655.02 g/mol, XLogP of 37.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-methylbicyclo[3.2.0]heptane;2-methylbicyclo[4.1.0]heptane;3-methylbicyclo[3.2.0]heptane;3-methylbicyclo[4.1.0]heptane;7-methylbicyclo[4.1.0]heptane;2-methylbicyclo[3.1.0]hexane;3-methylbicyclo[3.1.0]hexane;6-methylbicyclo[3.1.0]hexane;3-methylbicyclo[4.2.0]octane;7-methylbicyclo[4.2.0]octane;2-methylbicyclo[2.1.0]pentane;5-methylbicyclo[2.1.0]pentane;methylcyclobutane;methylcyclopropane is sourced from PubChem (CID 162060466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).