1-methyl-2,3,3a,6-tetrahydro-1H-indene

C10H14 — CID 145030124

IUPAC1-methyl-2,3,3a,6-tetrahydro-1H-indene
SMILESCC1CCC2C=CCC=C12
InChIInChI=1S/C10H14/c1-8-6-7-9-4-2-3-5-10(8)9/h2,4-5,8-9H,3,6-7H2,1H3
InChIKeyBCMSVHHCTKVYPZ-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.92
Rot. Bonds

About 1-methyl-2,3,3a,6-tetrahydro-1H-indene

1-methyl-2,3,3a,6-tetrahydro-1H-indene (PubChem CID 145030124) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-methyl-2,3,3a,6-tetrahydro-1H-indene.

Molecular Properties

Compound Name1-methyl-2,3,3a,6-tetrahydro-1H-indene
PubChem CID145030124
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1-methyl-2,3,3a,6-tetrahydro-1H-indene
SMILESCC1CCC2C=CCC=C12
InChIInChI=1S/C10H14/c1-8-6-7-9-4-2-3-5-10(8)9/h2,4-5,8-9H,3,6-7H2,1H3
InChIKeyBCMSVHHCTKVYPZ-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,5R)-2-methylbicyclo[3.1.0]hex-1(6)-ene
CID 149455219
(1Z,4Z)-1,6-dimethylcycloocta-1,4-diene
CID 156675048
1-methyl-2,3,3a,6-tetrahydro-1H-phenalene
CID 173375084
5,7a-dihydro-1H-isoindole
CID 123946634
(3aS,4R)-7-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol
CID 135068428
(1E,4Z,7Z)-1-methoxy-6-methylcyclonona-1,4,7-triene
CID 143334685
ethane;methane;1-methyl-1,2,3,3a,4,5,6,7-octahydroazulene
CID 143696880
5,8-dimethyl-3,5,6,7,8,8a-hexahydroquinoline-2-carbaldehyde
CID 57315517
[(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]-methylazanide
CID 163121843
(1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 100929671
(1R,4R,4aR,6S)-6-isocyano-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,7-hexahydro-1H-naphthalene
CID 10900481
1,2,3,6-tetramethylcyclohexene
CID 21243938

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,3a,6-tetrahydro-1H-indene?
The IUPAC name of 1-methyl-2,3,3a,6-tetrahydro-1H-indene (CID 145030124) is 1-methyl-2,3,3a,6-tetrahydro-1H-indene.
What is the SMILES notation for 1-methyl-2,3,3a,6-tetrahydro-1H-indene?
The canonical SMILES for 1-methyl-2,3,3a,6-tetrahydro-1H-indene is CC1CCC2C=CCC=C12.
What is the InChIKey of 1-methyl-2,3,3a,6-tetrahydro-1H-indene?
The InChIKey is BCMSVHHCTKVYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-8-6-7-9-4-2-3-5-10(8)9/h2,4-5,8-9H,3,6-7H2,1H3.
What are the key properties of 1-methyl-2,3,3a,6-tetrahydro-1H-indene?
1-methyl-2,3,3a,6-tetrahydro-1H-indene has a molecular weight of 134.22 g/mol, XLogP of 2.92, 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,6-tetrahydro-1H-indene is sourced from PubChem (CID 145030124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).