[(1R,2R)-2-ethenylcyclopropyl]-phenylmethanone

C12H12O — CID 14120313

IUPAC[(1R,2R)-2-ethenylcyclopropyl]-phenylmethanone
SMILESC=C[C@H]1C[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C12H12O/c1-2-9-8-11(9)12(13)10-6-4-3-5-7-10/h2-7,9,11H,1,8H2/t9-,11+/m0/s1
InChIKeyNBHPCXYPNADLSA-GXSJLCMTSA-N
MW172.23 g/mol
LogP2.69
Rot. Bonds3

About [(1R,2R)-2-ethenylcyclopropyl]-phenylmethanone

[(1R,2R)-2-ethenylcyclopropyl]-phenylmethanone (PubChem CID 14120313) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is [(1R,2R)-2-ethenylcyclopropyl]-phenylmethanone.

Molecular Properties

Compound Name[(1R,2R)-2-ethenylcyclopropyl]-phenylmethanone
PubChem CID14120313
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name[(1R,2R)-2-ethenylcyclopropyl]-phenylmethanone
SMILESC=C[C@H]1C[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C12H12O/c1-2-9-8-11(9)12(13)10-6-4-3-5-7-10/h2-7,9,11H,1,8H2/t9-,11+/m0/s1
InChIKeyNBHPCXYPNADLSA-GXSJLCMTSA-N
XLogP2.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
phenyl-[2-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclopropyl]methanone
CID 134887905
trans-(1S,2S)-2-benzoylcyclopropane-1-carboxylic acid
CID 899673
2-benzoylcyclohexane-1-carbaldehyde
CID 174762479
[(1S,2S)-2-[(1R)-1-hydroxyprop-2-enyl]cyclopentyl]-phenylmethanone
CID 46221668
ethyl 2-benzoylcyclopropane-1-carboxylate
CID 15568394
trans-tert-butyl (1S,2S)-2-benzoylcyclopropane-1-carboxylate
CID 12996560
(1S,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 744231
2-benzoylcyclohexane-1-carbonyl chloride
CID 22288669
1-[(1R,2S,3R)-3-benzoyl-2-methylcyclopentyl]ethanone
CID 102579014
[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-phenylmethanone
CID 98066243
1-[(1S,2R,3R)-3-benzoyl-2-methylcyclopentyl]ethanone
CID 102181829

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-ethenylcyclopropyl]-phenylmethanone?
The IUPAC name of [(1R,2R)-2-ethenylcyclopropyl]-phenylmethanone (CID 14120313) is [(1R,2R)-2-ethenylcyclopropyl]-phenylmethanone.
What is the SMILES notation for [(1R,2R)-2-ethenylcyclopropyl]-phenylmethanone?
The canonical SMILES for [(1R,2R)-2-ethenylcyclopropyl]-phenylmethanone is C=C[C@H]1C[C@H]1C(=O)c1ccccc1.
What is the InChIKey of [(1R,2R)-2-ethenylcyclopropyl]-phenylmethanone?
The InChIKey is NBHPCXYPNADLSA-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H12O/c1-2-9-8-11(9)12(13)10-6-4-3-5-7-10/h2-7,9,11H,1,8H2/t9-,11+/m0/s1.
What are the key properties of [(1R,2R)-2-ethenylcyclopropyl]-phenylmethanone?
[(1R,2R)-2-ethenylcyclopropyl]-phenylmethanone has a molecular weight of 172.23 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-ethenylcyclopropyl]-phenylmethanone is sourced from PubChem (CID 14120313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).