1-[(1R,2R)-2-methyl-1-phenylcyclopentyl]propan-2-one

C15H20O — CID 102001586

IUPAC1-[(1R,2R)-2-methyl-1-phenylcyclopentyl]propan-2-one
SMILESCC(=O)C[C@]1(c2ccccc2)CCC[C@H]1C
InChIInChI=1S/C15H20O/c1-12-7-6-10-15(12,11-13(2)16)14-8-4-3-5-9-14/h3-5,8-9,12H,6-7,10-11H2,1-2H3/t12-,15-/m1/s1
InChIKeyBPGJMGREUZJGAZ-IUODEOHRSA-N
MW216.32 g/mol
LogP3.72
Rot. Bonds3

About 1-[(1R,2R)-2-methyl-1-phenylcyclopentyl]propan-2-one

1-[(1R,2R)-2-methyl-1-phenylcyclopentyl]propan-2-one (PubChem CID 102001586) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-[(1R,2R)-2-methyl-1-phenylcyclopentyl]propan-2-one.

Molecular Properties

Compound Name1-[(1R,2R)-2-methyl-1-phenylcyclopentyl]propan-2-one
PubChem CID102001586
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-[(1R,2R)-2-methyl-1-phenylcyclopentyl]propan-2-one
SMILESCC(=O)C[C@]1(c2ccccc2)CCC[C@H]1C
InChIInChI=1S/C15H20O/c1-12-7-6-10-15(12,11-13(2)16)14-8-4-3-5-9-14/h3-5,8-9,12H,6-7,10-11H2,1-2H3/t12-,15-/m1/s1
InChIKeyBPGJMGREUZJGAZ-IUODEOHRSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(1R,2R)-2-methyl-1-phenylcyclopentyl]propan-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

[(1R,2R)-2-methyl-1-phenylcyclopentyl]methyl acetate
CID 102001590
(2S)-1-[(1R,2S)-2-methyl-1-phenylcyclopentyl]propan-2-ol
CID 10856964
N-[(2-methyl-1-phenylcyclobutyl)methyl]propan-2-amine
CID 66431979
cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol
CID 12611391
N-methyl-1-(2-methyl-1-phenylcyclobutyl)methanamine
CID 66431976
ethyl 2-(3-aminopropyl)-2-phenylcyclopentane-1-carboxylate
CID 21330521
1-(benzylamino)-2-methylcyclopentane-1-carboxylic acid
CID 65045391
[1-(4-tert-butylphenyl)-2-methylcyclopentyl]methanamine
CID 79679335
N-[[1-(3-chlorophenyl)-2-methylcyclopentyl]methyl]ethanamine
CID 79679172
N-[[1-(2-chlorophenyl)-2-methylcyclopentyl]methyl]cyclopropanamine
CID 79678984
(2,2,3-trimethyl-1-phenylcyclohexyl)methylazanium hydroxide
CID 141045881
1-(benzylamino)-2-methylcyclopentane-1-carboxamide
CID 65045227

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-methyl-1-phenylcyclopentyl]propan-2-one?
The IUPAC name of 1-[(1R,2R)-2-methyl-1-phenylcyclopentyl]propan-2-one (CID 102001586) is 1-[(1R,2R)-2-methyl-1-phenylcyclopentyl]propan-2-one.
What is the SMILES notation for 1-[(1R,2R)-2-methyl-1-phenylcyclopentyl]propan-2-one?
The canonical SMILES for 1-[(1R,2R)-2-methyl-1-phenylcyclopentyl]propan-2-one is CC(=O)C[C@]1(c2ccccc2)CCC[C@H]1C.
What is the InChIKey of 1-[(1R,2R)-2-methyl-1-phenylcyclopentyl]propan-2-one?
The InChIKey is BPGJMGREUZJGAZ-IUODEOHRSA-N. The full InChI is InChI=1S/C15H20O/c1-12-7-6-10-15(12,11-13(2)16)14-8-4-3-5-9-14/h3-5,8-9,12H,6-7,10-11H2,1-2H3/t12-,15-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-methyl-1-phenylcyclopentyl]propan-2-one?
1-[(1R,2R)-2-methyl-1-phenylcyclopentyl]propan-2-one has a molecular weight of 216.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-methyl-1-phenylcyclopentyl]propan-2-one is sourced from PubChem (CID 102001586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).