(1R,5R,6R)-6-phenylbicyclo[3.1.0]hexan-2-one

C12H12O — CID 11147997

IUPAC(1R,5R,6R)-6-phenylbicyclo[3.1.0]hexan-2-one
SMILESO=C1CC[C@H]2[C@@H]1[C@@H]2c1ccccc1
InChIInChI=1S/C12H12O/c13-10-7-6-9-11(12(9)10)8-4-2-1-3-5-8/h1-5,9,11-12H,6-7H2/t9-,11-,12+/m1/s1
InChIKeyMDMPNXHXNCBWCG-JLLWLGSASA-N
MW172.23 g/mol
LogP2.38
Rot. Bonds1

About (1R,5R,6R)-6-phenylbicyclo[3.1.0]hexan-2-one

(1R,5R,6R)-6-phenylbicyclo[3.1.0]hexan-2-one (PubChem CID 11147997) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is (1R,5R,6R)-6-phenylbicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1R,5R,6R)-6-phenylbicyclo[3.1.0]hexan-2-one
PubChem CID11147997
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name(1R,5R,6R)-6-phenylbicyclo[3.1.0]hexan-2-one
SMILESO=C1CC[C@H]2[C@@H]1[C@@H]2c1ccccc1
InChIInChI=1S/C12H12O/c13-10-7-6-9-11(12(9)10)8-4-2-1-3-5-8/h1-5,9,11-12H,6-7H2/t9-,11-,12+/m1/s1
InChIKeyMDMPNXHXNCBWCG-JLLWLGSASA-N
XLogP2.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,5R,6R)-6-phenylbicyclo[3.1.0]hexan-2-one with MolForge

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Related Compounds

(1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione
CID 2752996
4,11-diphenyltricyclo[5.3.1.03,8]undecane-2,6-dione
CID 14778512
methyl (1S,3R,3aS,6aR)-6-oxo-1-phenyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate
CID 11414259
9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 140505234
(2R,6R,7S,8S)-7-phenyl-10-thia-1-azatricyclo[6.3.0.02,6]undecan-5-one
CID 14790931
2-methyl-3-phenylcyclopentan-1-one
CID 12573116
(1R,5R,6R)-6-ethenylbicyclo[3.1.0]hexan-2-one
CID 12534165
(1S,6S)-7-[(E)-2-phenylethenyl]bicyclo[4.1.0]heptan-2-one
CID 134853669
4-ethyl-2-phenylcyclohexan-1-one
CID 156783397
(1S,5R,6S,8S)-5,6-diphenyl-2-oxatricyclo[5.2.1.04,8]decan-3-one
CID 102064529
trans-(4R,5R)-4,5-diphenylcycloheptan-1-one
CID 58293688
2-methylidene-3-phenylcyclopentan-1-one
CID 24978032

Frequently Asked Questions

What is the IUPAC name of (1R,5R,6R)-6-phenylbicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1R,5R,6R)-6-phenylbicyclo[3.1.0]hexan-2-one (CID 11147997) is (1R,5R,6R)-6-phenylbicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1R,5R,6R)-6-phenylbicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1R,5R,6R)-6-phenylbicyclo[3.1.0]hexan-2-one is O=C1CC[C@H]2[C@@H]1[C@@H]2c1ccccc1.
What is the InChIKey of (1R,5R,6R)-6-phenylbicyclo[3.1.0]hexan-2-one?
The InChIKey is MDMPNXHXNCBWCG-JLLWLGSASA-N. The full InChI is InChI=1S/C12H12O/c13-10-7-6-9-11(12(9)10)8-4-2-1-3-5-8/h1-5,9,11-12H,6-7H2/t9-,11-,12+/m1/s1.
What are the key properties of (1R,5R,6R)-6-phenylbicyclo[3.1.0]hexan-2-one?
(1R,5R,6R)-6-phenylbicyclo[3.1.0]hexan-2-one has a molecular weight of 172.23 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6R)-6-phenylbicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 11147997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).