2,4,5,7a-tetrahydro-1H-indene;propane

C12H20 — CID 145030145

IUPAC2,4,5,7a-tetrahydro-1H-indene;propane
SMILESC1=CC2CCC=C2CC1.CCC
InChIInChI=1S/C9H12.C3H8/c1-2-5-9-7-3-6-8(9)4-1;1-3-2/h1,4,7-8H,2-3,5-6H2;3H2,1-2H3
InChIKeyAVKQXKKBQCRZIU-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.09
Rot. Bonds

About 2,4,5,7a-tetrahydro-1H-indene;propane

2,4,5,7a-tetrahydro-1H-indene;propane (PubChem CID 145030145) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2,4,5,7a-tetrahydro-1H-indene;propane.

Molecular Properties

Compound Name2,4,5,7a-tetrahydro-1H-indene;propane
PubChem CID145030145
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name2,4,5,7a-tetrahydro-1H-indene;propane
SMILESC1=CC2CCC=C2CC1.CCC
InChIInChI=1S/C9H12.C3H8/c1-2-5-9-7-3-6-8(9)4-1;1-3-2/h1,4,7-8H,2-3,5-6H2;3H2,1-2H3
InChIKeyAVKQXKKBQCRZIU-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,4,5,7a-tetrahydro-1H-indene;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopent-2-en-1-ylcyclohexene
CID 14358731
3a,4,5,6-tetrahydro-1H-indene;ethane
CID 90917521
1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene
CID 101316646
(9aR)-2,4,5,8,9,9a-hexahydro-1H-cyclopenta[8]annulene
CID 129409176
(1Z)-3-cyclopenta-1,3-dien-1-ylcyclodecene
CID 163639530
butane;3-methylcyclopentene
CID 143221247
2-[(1S)-cyclopent-2-en-1-yl]-1-methylpyrrole
CID 162013340
(6E)-6-cyclohex-2-en-1-yl-2,3,4,5-tetrahydroazocine
CID 126707069
(5R)-bicyclo[3.2.0]hept-1-ene
CID 15939344
2-cyclohex-2-en-1-ylcyclohex-2-en-1-one
CID 101209775
1-[(1R)-cyclopent-2-en-1-yl]-2-methoxybenzene
CID 2327236
1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene
CID 11435403

Frequently Asked Questions

What is the IUPAC name of 2,4,5,7a-tetrahydro-1H-indene;propane?
The IUPAC name of 2,4,5,7a-tetrahydro-1H-indene;propane (CID 145030145) is 2,4,5,7a-tetrahydro-1H-indene;propane.
What is the SMILES notation for 2,4,5,7a-tetrahydro-1H-indene;propane?
The canonical SMILES for 2,4,5,7a-tetrahydro-1H-indene;propane is C1=CC2CCC=C2CC1.CCC.
What is the InChIKey of 2,4,5,7a-tetrahydro-1H-indene;propane?
The InChIKey is AVKQXKKBQCRZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C3H8/c1-2-5-9-7-3-6-8(9)4-1;1-3-2/h1,4,7-8H,2-3,5-6H2;3H2,1-2H3.
What are the key properties of 2,4,5,7a-tetrahydro-1H-indene;propane?
2,4,5,7a-tetrahydro-1H-indene;propane has a molecular weight of 164.29 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,7a-tetrahydro-1H-indene;propane is sourced from PubChem (CID 145030145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).