2-methyl-1,3a,4,6,7,7a-hexahydroinden-5-one

C10H14O — CID 86257426

IUPAC2-methyl-1,3a,4,6,7,7a-hexahydroinden-5-one
SMILESCC1=CC2CC(=O)CCC2C1
InChIInChI=1S/C10H14O/c1-7-4-8-2-3-10(11)6-9(8)5-7/h5,8-9H,2-4,6H2,1H3
InChIKeyWOGKUYIIOLCBMT-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.32
Rot. Bonds

About 2-methyl-1,3a,4,6,7,7a-hexahydroinden-5-one

2-methyl-1,3a,4,6,7,7a-hexahydroinden-5-one (PubChem CID 86257426) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-methyl-1,3a,4,6,7,7a-hexahydroinden-5-one.

Molecular Properties

Compound Name2-methyl-1,3a,4,6,7,7a-hexahydroinden-5-one
PubChem CID86257426
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-methyl-1,3a,4,6,7,7a-hexahydroinden-5-one
SMILESCC1=CC2CC(=O)CCC2C1
InChIInChI=1S/C10H14O/c1-7-4-8-2-3-10(11)6-9(8)5-7/h5,8-9H,2-4,6H2,1H3
InChIKeyWOGKUYIIOLCBMT-UHFFFAOYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4aR,8aS)-3,4,4a,5,8,8a-hexahydro-1H-naphthalen-2-one
CID 102053101
5-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
CID 77305376
3,4-dimethylcyclohexan-1-one;ethane
CID 142187716
3-(2,4,5-trimethylphenyl)cyclopentan-1-one
CID 64989713
(4Z)-4,6-dimethylcyclooct-4-en-1-one
CID 14063354
3-cyclohexylcyclopentan-1-one
CID 11105726
N,N,5-trimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 141370243
formaldehyde;3-(4-methylcyclohexyl)cyclopentan-1-one
CID 142844571
6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
CID 67967191
5-methyl-2,3,3a,6,7,7a-hexahydroinden-1-one
CID 130027384
ethane;3-methylcyclopentan-1-one
CID 142926670
(4aS,8aS)-1,3,4,4a,8,8a-hexahydronaphthalene-2,7-dione
CID 101092885

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3a,4,6,7,7a-hexahydroinden-5-one?
The IUPAC name of 2-methyl-1,3a,4,6,7,7a-hexahydroinden-5-one (CID 86257426) is 2-methyl-1,3a,4,6,7,7a-hexahydroinden-5-one.
What is the SMILES notation for 2-methyl-1,3a,4,6,7,7a-hexahydroinden-5-one?
The canonical SMILES for 2-methyl-1,3a,4,6,7,7a-hexahydroinden-5-one is CC1=CC2CC(=O)CCC2C1.
What is the InChIKey of 2-methyl-1,3a,4,6,7,7a-hexahydroinden-5-one?
The InChIKey is WOGKUYIIOLCBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-7-4-8-2-3-10(11)6-9(8)5-7/h5,8-9H,2-4,6H2,1H3.
What are the key properties of 2-methyl-1,3a,4,6,7,7a-hexahydroinden-5-one?
2-methyl-1,3a,4,6,7,7a-hexahydroinden-5-one has a molecular weight of 150.22 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3a,4,6,7,7a-hexahydroinden-5-one is sourced from PubChem (CID 86257426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).