2,3,3a,4-tetrahydrocyclopenta[a]indene

C12H12 — CID 15439194

IUPAC2,3,3a,4-tetrahydrocyclopenta[a]indene
SMILESC1=C2c3ccccc3CC2CC1
InChIInChI=1S/C12H12/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)11/h1-2,4,6-7,10H,3,5,8H2
InChIKeySXPZVOQZEUAZKP-UHFFFAOYSA-N
MW156.23 g/mol
LogP3.04
Rot. Bonds

About 2,3,3a,4-tetrahydrocyclopenta[a]indene

2,3,3a,4-tetrahydrocyclopenta[a]indene (PubChem CID 15439194) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydrocyclopenta[a]indene.

Molecular Properties

Compound Name2,3,3a,4-tetrahydrocyclopenta[a]indene
PubChem CID15439194
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Name2,3,3a,4-tetrahydrocyclopenta[a]indene
SMILESC1=C2c3ccccc3CC2CC1
InChIInChI=1S/C12H12/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)11/h1-2,4,6-7,10H,3,5,8H2
InChIKeySXPZVOQZEUAZKP-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,9,9a-tetrahydrofluoren-3-one
CID 12514901
2-(3H-inden-1-yl)-2,3-dihydroinden-1-one
CID 44721009
3-(cyclohexen-1-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 168962351
3,4,4a,6-tetrahydro-2H-phenanthridine-5-carboxamide
CID 140547591
tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-one
CID 5260406
1-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one
CID 143668942
4-fluoro-9,9a-dihydro-1H-cyclopenta[b]naphthalene
CID 69427838
(2S,10aR)-2-bromo-3,9,10,10a-tetrahydro-1H-phenanthrene-2-carbaldehyde
CID 101493566
4-[(1R,2R)-2-pentylcyclopropyl]-1,2-dihydronaphthalene
CID 15891544
N-(3-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 72727345
9-oxo-5,6,7,8-tetrahydrobenzo[7]annulene-6-carbonitrile
CID 101048783
3,4,4a,5-tetrahydro-2H-phenanthridin-6-one
CID 152763997

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydrocyclopenta[a]indene?
The IUPAC name of 2,3,3a,4-tetrahydrocyclopenta[a]indene (CID 15439194) is 2,3,3a,4-tetrahydrocyclopenta[a]indene.
What is the SMILES notation for 2,3,3a,4-tetrahydrocyclopenta[a]indene?
The canonical SMILES for 2,3,3a,4-tetrahydrocyclopenta[a]indene is C1=C2c3ccccc3CC2CC1.
What is the InChIKey of 2,3,3a,4-tetrahydrocyclopenta[a]indene?
The InChIKey is SXPZVOQZEUAZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)11/h1-2,4,6-7,10H,3,5,8H2.
What are the key properties of 2,3,3a,4-tetrahydrocyclopenta[a]indene?
2,3,3a,4-tetrahydrocyclopenta[a]indene has a molecular weight of 156.23 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydrocyclopenta[a]indene is sourced from PubChem (CID 15439194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).