2-chloro-1-[(2R)-1-phenylazetidin-2-yl]ethanone

C11H12ClNO — CID 164769489

IUPAC2-chloro-1-[(2R)-1-phenylazetidin-2-yl]ethanone
SMILESO=C(CCl)[C@H]1CCN1c1ccccc1
InChIInChI=1S/C11H12ClNO/c12-8-11(14)10-6-7-13(10)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m1/s1
InChIKeyCUONIJTWCNEIAH-SNVBAGLBSA-N
MW209.68 g/mol
LogP2.07
Rot. Bonds3

About 2-chloro-1-[(2R)-1-phenylazetidin-2-yl]ethanone

2-chloro-1-[(2R)-1-phenylazetidin-2-yl]ethanone (PubChem CID 164769489) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-chloro-1-[(2R)-1-phenylazetidin-2-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[(2R)-1-phenylazetidin-2-yl]ethanone
PubChem CID164769489
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name2-chloro-1-[(2R)-1-phenylazetidin-2-yl]ethanone
SMILESO=C(CCl)[C@H]1CCN1c1ccccc1
InChIInChI=1S/C11H12ClNO/c12-8-11(14)10-6-7-13(10)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m1/s1
InChIKeyCUONIJTWCNEIAH-SNVBAGLBSA-N
XLogP2.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-phenylazetidine-2-carboxylic acid
CID 57017156
2-chloro-1-[(2R)-1-(4-chlorophenyl)pyrrolidin-2-yl]ethanone
CID 162743616
2-chloro-1-(4,4-difluoro-1-phenylpyrrolidin-2-yl)ethanone
CID 167450197
3-methyl-1-(1-phenylpyrrolidin-2-yl)butan-1-one
CID 132966507
1-phenylpiperidine-2,4-dicarboxylic acid
CID 174902187
(2R)-2-benzyl-4-[(2S)-1-(4-fluorophenyl)azetidin-2-yl]-4-oxobutanoic acid
CID 161125330
cyclopropyl-[(2R)-1-phenylpyrrolidin-2-yl]methanone
CID 173145770
1-phenyl-2-propanoylpiperidine-4-carbohydrazide
CID 174875639
2-hydroxy-4-oxo-4-(1-phenylpyrrolidin-2-yl)but-2-enoic acid
CID 174437161
5-(2-chloroacetyl)-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 15054936
1-[1-(2-chloroacetyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 139306179
N-(diaminomethylidene)-1-phenylpyrrolidine-2-carboxamide
CID 54358653

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(2R)-1-phenylazetidin-2-yl]ethanone?
The IUPAC name of 2-chloro-1-[(2R)-1-phenylazetidin-2-yl]ethanone (CID 164769489) is 2-chloro-1-[(2R)-1-phenylazetidin-2-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[(2R)-1-phenylazetidin-2-yl]ethanone?
The canonical SMILES for 2-chloro-1-[(2R)-1-phenylazetidin-2-yl]ethanone is O=C(CCl)[C@H]1CCN1c1ccccc1.
What is the InChIKey of 2-chloro-1-[(2R)-1-phenylazetidin-2-yl]ethanone?
The InChIKey is CUONIJTWCNEIAH-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12ClNO/c12-8-11(14)10-6-7-13(10)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m1/s1.
What are the key properties of 2-chloro-1-[(2R)-1-phenylazetidin-2-yl]ethanone?
2-chloro-1-[(2R)-1-phenylazetidin-2-yl]ethanone has a molecular weight of 209.68 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(2R)-1-phenylazetidin-2-yl]ethanone is sourced from PubChem (CID 164769489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).