[3-(4-chlorophenyl)-3-methylpyrrolidin-1-yl]-(oxiran-2-yl)methanone

C14H16ClNO2 — CID 154879874

IUPAC[3-(4-chlorophenyl)-3-methylpyrrolidin-1-yl]-(oxiran-2-yl)methanone
SMILESCC1(c2ccc(Cl)cc2)CCN(C(=O)C2CO2)C1
InChIInChI=1S/C14H16ClNO2/c1-14(10-2-4-11(15)5-3-10)6-7-16(9-14)13(17)12-8-18-12/h2-5,12H,6-9H2,1H3
InChIKeyWHCKHCBGWGCUHD-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.23
Rot. Bonds2

About [3-(4-chlorophenyl)-3-methylpyrrolidin-1-yl]-(oxiran-2-yl)methanone

[3-(4-chlorophenyl)-3-methylpyrrolidin-1-yl]-(oxiran-2-yl)methanone (PubChem CID 154879874) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-3-methylpyrrolidin-1-yl]-(oxiran-2-yl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-3-methylpyrrolidin-1-yl]-(oxiran-2-yl)methanone
PubChem CID154879874
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name[3-(4-chlorophenyl)-3-methylpyrrolidin-1-yl]-(oxiran-2-yl)methanone
SMILESCC1(c2ccc(Cl)cc2)CCN(C(=O)C2CO2)C1
InChIInChI=1S/C14H16ClNO2/c1-14(10-2-4-11(15)5-3-10)6-7-16(9-14)13(17)12-8-18-12/h2-5,12H,6-9H2,1H3
InChIKeyWHCKHCBGWGCUHD-UHFFFAOYSA-N
XLogP2.23
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenyl)-1-[(3S)-3-(difluoromethoxy)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 132354980
4-(4-Chlorophenyl)-4-fluoro-1-(oxirane-2-carbonyl)piperidine
CID 165767722
1-[(R)-3-(p-chlorophenyl)-1-azepanyl]-2-methoxy-1-ethanone
CID 99876674
1-[2-(4-Chlorophenyl)-2-methylpropanoyl]pyrrolidin-3-ol
CID 69153508
N-[2-(4-chlorophenyl)-2-ethylbutyl]-1,4-dioxane-2-carboxamide
CID 60621716
N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-1,4-dioxane-2-carboxamide
CID 72008576
N-[3-(4-chlorophenyl)butan-2-yl]-N-methyl-1,4-dioxane-2-carboxamide
CID 72109647
1-(3-(4-Chlorophenyl)azepan-1-yl)-2-methoxyethanone
CID 76150243
3-(4-Chlorophenyl)-1-(2-ethoxy-2-methylpropanoyl)piperidine
CID 91784300
3-(2-Chlorophenyl)-1-(3-methoxypropanoyl)pyrrolidine
CID 91830298
(2S)-N-[(2R,3R)-3-(4-chlorophenyl)butan-2-yl]-N-methyl-1,4-dioxane-2-carboxamide
CID 95971463
(2S)-N-[(2S,3R)-3-(4-chlorophenyl)butan-2-yl]-N-methyl-1,4-dioxane-2-carboxamide
CID 95971465

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-3-methylpyrrolidin-1-yl]-(oxiran-2-yl)methanone?
The IUPAC name of [3-(4-chlorophenyl)-3-methylpyrrolidin-1-yl]-(oxiran-2-yl)methanone (CID 154879874) is [3-(4-chlorophenyl)-3-methylpyrrolidin-1-yl]-(oxiran-2-yl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-3-methylpyrrolidin-1-yl]-(oxiran-2-yl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)-3-methylpyrrolidin-1-yl]-(oxiran-2-yl)methanone is CC1(c2ccc(Cl)cc2)CCN(C(=O)C2CO2)C1.
What is the InChIKey of [3-(4-chlorophenyl)-3-methylpyrrolidin-1-yl]-(oxiran-2-yl)methanone?
The InChIKey is WHCKHCBGWGCUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-14(10-2-4-11(15)5-3-10)6-7-16(9-14)13(17)12-8-18-12/h2-5,12H,6-9H2,1H3.
What are the key properties of [3-(4-chlorophenyl)-3-methylpyrrolidin-1-yl]-(oxiran-2-yl)methanone?
[3-(4-chlorophenyl)-3-methylpyrrolidin-1-yl]-(oxiran-2-yl)methanone has a molecular weight of 265.74 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-3-methylpyrrolidin-1-yl]-(oxiran-2-yl)methanone is sourced from PubChem (CID 154879874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).