1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone

C11H11ClO — CID 39239299

IUPAC1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
SMILESCC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C11H11ClO/c1-7(13)10-6-11(10)8-3-2-4-9(12)5-8/h2-5,10-11H,6H2,1H3/t10-,11+/m1/s1
InChIKeyHIEVOMXOJBBJHH-MNOVXSKESA-N
MW194.66 g/mol
LogP3.03
Rot. Bonds2

About 1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone

1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone (PubChem CID 39239299) has the molecular formula C11H11ClO and a molecular weight of 194.66 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
PubChem CID39239299
Molecular FormulaC11H11ClO
Molecular Weight194.66 g/mol
Exact Mass194.05
IUPAC Name1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
SMILESCC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C11H11ClO/c1-7(13)10-6-11(10)8-3-2-4-9(12)5-8/h2-5,10-11H,6H2,1H3/t10-,11+/m1/s1
InChIKeyHIEVOMXOJBBJHH-MNOVXSKESA-N
XLogP3.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 131139995
1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone
CID 93304641
1-[2-(3-cyclopropylphenyl)cyclopropyl]ethanone
CID 79980851
cis-tert-butyl (1R,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxylate
CID 102520338
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone
CID 1475633
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
2-(3-chlorophenyl)-N-(diaminomethylidene)cyclopropane-1-carboxamide
CID 54429872
2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 119501592
(3R,4R)-4-(3-chlorophenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 99962566
cis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 124885257

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone?
The IUPAC name of 1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone (CID 39239299) is 1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone is CC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1.
What is the InChIKey of 1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone?
The InChIKey is HIEVOMXOJBBJHH-MNOVXSKESA-N. The full InChI is InChI=1S/C11H11ClO/c1-7(13)10-6-11(10)8-3-2-4-9(12)5-8/h2-5,10-11H,6H2,1H3/t10-,11+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone?
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone has a molecular weight of 194.66 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone is sourced from PubChem (CID 39239299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).