2,7-dimethylbicyclo[3.2.1]oct-6-en-3-one

C10H14O — CID 71403444

IUPAC2,7-dimethylbicyclo[3.2.1]oct-6-en-3-one
SMILESCC1=CC2CC(=O)C(C)C1C2
InChIInChI=1S/C10H14O/c1-6-3-8-4-9(6)7(2)10(11)5-8/h3,7-9H,4-5H2,1-2H3
InChIKeySPTCQXAFSVTXMJ-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.18
Rot. Bonds

About 2,7-dimethylbicyclo[3.2.1]oct-6-en-3-one

2,7-dimethylbicyclo[3.2.1]oct-6-en-3-one (PubChem CID 71403444) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2,7-dimethylbicyclo[3.2.1]oct-6-en-3-one.

Molecular Properties

Compound Name2,7-dimethylbicyclo[3.2.1]oct-6-en-3-one
PubChem CID71403444
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2,7-dimethylbicyclo[3.2.1]oct-6-en-3-one
SMILESCC1=CC2CC(=O)C(C)C1C2
InChIInChI=1S/C10H14O/c1-6-3-8-4-9(6)7(2)10(11)5-8/h3,7-9H,4-5H2,1-2H3
InChIKeySPTCQXAFSVTXMJ-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,7-dimethylbicyclo[3.2.1]oct-6-en-3-one 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

2-(2-(4-Methylcyclohex-3-en-1-yl)propyl)cyclopentan-1-one
CID 175661
1-(2,3,8,8-Tetramethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)ethanone
CID 109194
1-Propanone, 1-[6-methyl-4-(4-methyl-3-penten-1-yl)-3-cyclohexen-1-yl]-
CID 109192
Spiro[5.5]undec-8-en-1-one, 2,2,7,9-tetramethyl-
CID 10398572
1H-Inden-1-one, 3a,4,5,6,7,7a-hexahydro-3,3a,7,7-tetramethyl-
CID 12600978
1-Propanone, 1-[6-methyl-3-(4-methyl-3-penten-1-yl)-3-cyclohexen-1-yl]-
CID 109191
4,7,7-Trimethyl-2-(3-methyl-2-buten-1-yl)bicyclo(4.1.0)heptan-3-one
CID 121494096
(4aS,5R,8S)-5-methyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
CID 11074565
Xenitorin B
CID 11830928
(4aR,9aR)-4,4,6,9a-tetramethyl-1,2,3,4a,7,8-hexahydrobenzo[7]annulen-9-one
CID 10536930
8-Isopropyl-5-methyl-4,4A,5,6,7,8-hexahydronaphthalen-2(3H)-one
CID 12612678
Sinulobatin B
CID 10424032

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylbicyclo[3.2.1]oct-6-en-3-one?
The IUPAC name of 2,7-dimethylbicyclo[3.2.1]oct-6-en-3-one (CID 71403444) is 2,7-dimethylbicyclo[3.2.1]oct-6-en-3-one.
What is the SMILES notation for 2,7-dimethylbicyclo[3.2.1]oct-6-en-3-one?
The canonical SMILES for 2,7-dimethylbicyclo[3.2.1]oct-6-en-3-one is CC1=CC2CC(=O)C(C)C1C2.
What is the InChIKey of 2,7-dimethylbicyclo[3.2.1]oct-6-en-3-one?
The InChIKey is SPTCQXAFSVTXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-6-3-8-4-9(6)7(2)10(11)5-8/h3,7-9H,4-5H2,1-2H3.
What are the key properties of 2,7-dimethylbicyclo[3.2.1]oct-6-en-3-one?
2,7-dimethylbicyclo[3.2.1]oct-6-en-3-one has a molecular weight of 150.22 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylbicyclo[3.2.1]oct-6-en-3-one is sourced from PubChem (CID 71403444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).