(1R,5R)-1-methoxybicyclo[3.2.2]nona-3,6-dien-2-one

C10H12O2 — CID 130906183

IUPAC(1R,5R)-1-methoxybicyclo[3.2.2]nona-3,6-dien-2-one
SMILESCO[C@]12C=C[C@H](C=CC1=O)CC2
InChIInChI=1S/C10H12O2/c1-12-10-6-4-8(5-7-10)2-3-9(10)11/h2-4,6,8H,5,7H2,1H3/t8-,10-/m0/s1
InChIKeyYTVKSVDOKMNNIJ-WPRPVWTQSA-N
MW164.20 g/mol
LogP1.48
Rot. Bonds1

About (1R,5R)-1-methoxybicyclo[3.2.2]nona-3,6-dien-2-one

(1R,5R)-1-methoxybicyclo[3.2.2]nona-3,6-dien-2-one (PubChem CID 130906183) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (1R,5R)-1-methoxybicyclo[3.2.2]nona-3,6-dien-2-one.

Molecular Properties

Compound Name(1R,5R)-1-methoxybicyclo[3.2.2]nona-3,6-dien-2-one
PubChem CID130906183
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(1R,5R)-1-methoxybicyclo[3.2.2]nona-3,6-dien-2-one
SMILESCO[C@]12C=C[C@H](C=CC1=O)CC2
InChIInChI=1S/C10H12O2/c1-12-10-6-4-8(5-7-10)2-3-9(10)11/h2-4,6,8H,5,7H2,1H3/t8-,10-/m0/s1
InChIKeyYTVKSVDOKMNNIJ-WPRPVWTQSA-N
XLogP1.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,5R)-1-methoxybicyclo[3.2.2]nona-3,6-dien-2-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

(6S)-6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one
CID 91464345
1-Methoxybicyclo[3.2.2]non-6-en-2-one
CID 13378430
4-Methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 11819638
5-Methoxy-4-oxobicyclo[3.2.2]nona-2,8-diene-6-carbonitrile
CID 166447248
Bicyclo[3.2.2]nona-3,6-dien-2-one, 1-methoxy-
CID 572732
Bicyclo[3.2.2]nona-2,6-dien-4-one, 1,5-dimethoxy-
CID 595292
(6R)-6-(2-methyl-3-oxobutyl)-2H-pyran-5-one
CID 15747722
1-Methoxy-4-methylbicyclo(3.2.2)nona-3,6-dien-2-one
CID 101320307
(2R,6R)-6-pent-4-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one
CID 11975683
(2R,6R)-2-propan-2-yl-1-oxaspiro[5.6]dodeca-4,8-dien-3-one
CID 11975686
1-Methoxy-7-methylbicyclo[4.2.1]nona-3,7-dien-2-one
CID 13572586
(1S,5S)-1-methoxybicyclo[3.2.1]oct-3-en-2-one
CID 14451853

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-1-methoxybicyclo[3.2.2]nona-3,6-dien-2-one?
The IUPAC name of (1R,5R)-1-methoxybicyclo[3.2.2]nona-3,6-dien-2-one (CID 130906183) is (1R,5R)-1-methoxybicyclo[3.2.2]nona-3,6-dien-2-one.
What is the SMILES notation for (1R,5R)-1-methoxybicyclo[3.2.2]nona-3,6-dien-2-one?
The canonical SMILES for (1R,5R)-1-methoxybicyclo[3.2.2]nona-3,6-dien-2-one is CO[C@]12C=C[C@H](C=CC1=O)CC2.
What is the InChIKey of (1R,5R)-1-methoxybicyclo[3.2.2]nona-3,6-dien-2-one?
The InChIKey is YTVKSVDOKMNNIJ-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H12O2/c1-12-10-6-4-8(5-7-10)2-3-9(10)11/h2-4,6,8H,5,7H2,1H3/t8-,10-/m0/s1.
What are the key properties of (1R,5R)-1-methoxybicyclo[3.2.2]nona-3,6-dien-2-one?
(1R,5R)-1-methoxybicyclo[3.2.2]nona-3,6-dien-2-one has a molecular weight of 164.20 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-1-methoxybicyclo[3.2.2]nona-3,6-dien-2-one is sourced from PubChem (CID 130906183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).