(1R,5R)-1-methyl-5-phenylbicyclo[3.1.0]hexan-3-one

C13H14O — CID 132839315

IUPAC(1R,5R)-1-methyl-5-phenylbicyclo[3.1.0]hexan-3-one
SMILESC[C@@]12CC(=O)C[C@]1(c1ccccc1)C2
InChIInChI=1S/C13H14O/c1-12-7-11(14)8-13(12,9-12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3/t12-,13+/m0/s1
InChIKeyUHSYRLIZRSBBEE-QWHCGFSZSA-N
MW186.25 g/mol
LogP2.70
Rot. Bonds1

About (1R,5R)-1-methyl-5-phenylbicyclo[3.1.0]hexan-3-one

(1R,5R)-1-methyl-5-phenylbicyclo[3.1.0]hexan-3-one (PubChem CID 132839315) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is (1R,5R)-1-methyl-5-phenylbicyclo[3.1.0]hexan-3-one.

Molecular Properties

Compound Name(1R,5R)-1-methyl-5-phenylbicyclo[3.1.0]hexan-3-one
PubChem CID132839315
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name(1R,5R)-1-methyl-5-phenylbicyclo[3.1.0]hexan-3-one
SMILESC[C@@]12CC(=O)C[C@]1(c1ccccc1)C2
InChIInChI=1S/C13H14O/c1-12-7-11(14)8-13(12,9-12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3/t12-,13+/m0/s1
InChIKeyUHSYRLIZRSBBEE-QWHCGFSZSA-N
XLogP2.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-5-phenylcyclohexane-1,3-dione
CID 21286276
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
(3R)-3-methyl-3-phenylcyclohexan-1-one
CID 11506594
(3S)-3-methyl-3-phenylazetidin-2-one
CID 10329577
(6R)-2,2-dimethyl-6-phenyl-6-(trifluoromethyl)oxan-4-one
CID 743265
4,4-dimethyl-2,2-diphenylcyclopentane-1,3-dione
CID 10636315
2,3-dimethyl-3-phenylcyclobutan-1-one
CID 131076191
3,3,5,5-tetraphenylcyclopentane-1,2-dione
CID 141043374
4,4-diphenylcyclopentane-1,2-dione
CID 15724710
[4-(5-methyl-1-bicyclo[3.1.0]hexanyl)phenyl]-phenylmethanone
CID 172564854
2,2,6,6-tetramethyl-1-phenyl-1-sulfanylidene-1λ5-phosphinan-4-one
CID 4657476
(1S,5S)-1-phenylbicyclo[3.1.0]hexan-3-one
CID 135055522

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-1-methyl-5-phenylbicyclo[3.1.0]hexan-3-one?
The IUPAC name of (1R,5R)-1-methyl-5-phenylbicyclo[3.1.0]hexan-3-one (CID 132839315) is (1R,5R)-1-methyl-5-phenylbicyclo[3.1.0]hexan-3-one.
What is the SMILES notation for (1R,5R)-1-methyl-5-phenylbicyclo[3.1.0]hexan-3-one?
The canonical SMILES for (1R,5R)-1-methyl-5-phenylbicyclo[3.1.0]hexan-3-one is C[C@@]12CC(=O)C[C@]1(c1ccccc1)C2.
What is the InChIKey of (1R,5R)-1-methyl-5-phenylbicyclo[3.1.0]hexan-3-one?
The InChIKey is UHSYRLIZRSBBEE-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H14O/c1-12-7-11(14)8-13(12,9-12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3/t12-,13+/m0/s1.
What are the key properties of (1R,5R)-1-methyl-5-phenylbicyclo[3.1.0]hexan-3-one?
(1R,5R)-1-methyl-5-phenylbicyclo[3.1.0]hexan-3-one has a molecular weight of 186.25 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-1-methyl-5-phenylbicyclo[3.1.0]hexan-3-one is sourced from PubChem (CID 132839315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).