(1R,6S,8S)-8-cyclopropyl-8-methoxybicyclo[4.2.0]oct-2-en-7-one

C12H16O2 — CID 131871729

IUPAC(1R,6S,8S)-8-cyclopropyl-8-methoxybicyclo[4.2.0]oct-2-en-7-one
SMILESCO[C@]1(C2CC2)C(=O)[C@H]2CCC=C[C@H]21
InChIInChI=1S/C12H16O2/c1-14-12(8-6-7-8)10-5-3-2-4-9(10)11(12)13/h3,5,8-10H,2,4,6-7H2,1H3/t9-,10+,12-/m0/s1
InChIKeyMKPDCIWUVRZNQC-UMNHJUIQSA-N
MW192.26 g/mol
LogP1.95
Rot. Bonds2

About (1R,6S,8S)-8-cyclopropyl-8-methoxybicyclo[4.2.0]oct-2-en-7-one

(1R,6S,8S)-8-cyclopropyl-8-methoxybicyclo[4.2.0]oct-2-en-7-one (PubChem CID 131871729) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (1R,6S,8S)-8-cyclopropyl-8-methoxybicyclo[4.2.0]oct-2-en-7-one.

Molecular Properties

Compound Name(1R,6S,8S)-8-cyclopropyl-8-methoxybicyclo[4.2.0]oct-2-en-7-one
PubChem CID131871729
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(1R,6S,8S)-8-cyclopropyl-8-methoxybicyclo[4.2.0]oct-2-en-7-one
SMILESCO[C@]1(C2CC2)C(=O)[C@H]2CCC=C[C@H]21
InChIInChI=1S/C12H16O2/c1-14-12(8-6-7-8)10-5-3-2-4-9(10)11(12)13/h3,5,8-10H,2,4,6-7H2,1H3/t9-,10+,12-/m0/s1
InChIKeyMKPDCIWUVRZNQC-UMNHJUIQSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,6S,8S)-8-cyclopropyl-8-methoxybicyclo[4.2.0]oct-2-en-7-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

8-ethenyl-8-methylbicyclo[4.2.0]oct-2-en-7-one
CID 12882522
(1R,6S,7R)-7-tert-butyl-8-oxobicyclo[4.2.0]oct-4-ene-7-carbonitrile
CID 102483180
(1S,6R)-spiro[bicyclo[4.2.0]oct-2-ene-8,9'-fluorene]-7-one
CID 134919081
CID 87392870
CID 87392870
8-ethyl-6-methylbicyclo[4.2.0]oct-2-en-7-one
CID 22150584
3-amino-3-hydroxy-4a,7,8,8a-tetrahydro-2H-naphthalene-1,4-dione
CID 57142968
(3aS,7aS)-3-propan-2-ylidene-3a,4,5,7a-tetrahydro-1-benzofuran-2-one
CID 101022900
(1R,2S,9S,10R)-13,13-dimethoxytricyclo[8.2.1.02,9]trideca-5,11-diene
CID 98538880
(3S,3aR,7aS)-3-methyl-3a,6,7,7a-tetrahydro-3H-2-benzofuran-1-one
CID 101160107
(4aS,7R,10aR)-7-methyl-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[8]annulen-10-one
CID 177479151
5-cyclopent-2-en-1-yl-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 72789723
7-fluoro-7-methylbicyclo[3.2.0]hept-2-en-6-one
CID 134919860

Frequently Asked Questions

What is the IUPAC name of (1R,6S,8S)-8-cyclopropyl-8-methoxybicyclo[4.2.0]oct-2-en-7-one?
The IUPAC name of (1R,6S,8S)-8-cyclopropyl-8-methoxybicyclo[4.2.0]oct-2-en-7-one (CID 131871729) is (1R,6S,8S)-8-cyclopropyl-8-methoxybicyclo[4.2.0]oct-2-en-7-one.
What is the SMILES notation for (1R,6S,8S)-8-cyclopropyl-8-methoxybicyclo[4.2.0]oct-2-en-7-one?
The canonical SMILES for (1R,6S,8S)-8-cyclopropyl-8-methoxybicyclo[4.2.0]oct-2-en-7-one is CO[C@]1(C2CC2)C(=O)[C@H]2CCC=C[C@H]21.
What is the InChIKey of (1R,6S,8S)-8-cyclopropyl-8-methoxybicyclo[4.2.0]oct-2-en-7-one?
The InChIKey is MKPDCIWUVRZNQC-UMNHJUIQSA-N. The full InChI is InChI=1S/C12H16O2/c1-14-12(8-6-7-8)10-5-3-2-4-9(10)11(12)13/h3,5,8-10H,2,4,6-7H2,1H3/t9-,10+,12-/m0/s1.
What are the key properties of (1R,6S,8S)-8-cyclopropyl-8-methoxybicyclo[4.2.0]oct-2-en-7-one?
(1R,6S,8S)-8-cyclopropyl-8-methoxybicyclo[4.2.0]oct-2-en-7-one has a molecular weight of 192.26 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,8S)-8-cyclopropyl-8-methoxybicyclo[4.2.0]oct-2-en-7-one is sourced from PubChem (CID 131871729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).