2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C9H16 — CID 10325

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESC1CCC2CCCC2C1
InChIInChI=1S/C9H16/c1-2-5-9-7-3-6-8(9)4-1/h8-9H,1-7H2
InChIKeyBNRNAKTVFSZAFA-UHFFFAOYSA-N
MW124.23 g/mol
LogP2.98
Rot. Bonds

About 2,3,3a,4,5,6,7,7a-octahydro-1H-indene

2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 10325) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID10325
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESC1CCC2CCCC2C1
InChIInChI=1S/C9H16/c1-2-5-9-7-3-6-8(9)4-1/h8-9H,1-7H2
InChIKeyBNRNAKTVFSZAFA-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

rel-(3aR,7aS)-Octahydro-1H-indene
CID 643587
Perhydrofluorene
CID 21972
trans-Hydrindane
CID 638055
(S,S)-hydrindane
CID 643588
1H-Indene, octahydro-5-methyl-
CID 565932
1-Methyloctahydro-1h-indene
CID 236403
7a-Methyl-octahydro-indene
CID 12701552
2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 54317631
1,2,3,3a,4,5,6,7,8,9,10,10a-Dodecahydrocyclopenta[9]annulene
CID 58552309
1-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 134862650
7a-Fluoro-1,2,3,3a,4,5,6,7-octahydroindene
CID 69551962
5,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 89390683

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 10325) is 2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-indene is C1CCC2CCCC2C1.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is BNRNAKTVFSZAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-2-5-9-7-3-6-8(9)4-1/h8-9H,1-7H2.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 124.23 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 10325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).