(3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone

C12H14ClNO — CID 116580557

IUPAC(3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1(C(=O)c2cccc(Cl)c2)CCCN1
InChIInChI=1S/C12H14ClNO/c1-12(6-3-7-14-12)11(15)9-4-2-5-10(13)8-9/h2,4-5,8,14H,3,6-7H2,1H3
InChIKeyRTMBMVPLOFUZEL-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.66
Rot. Bonds2

About (3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone

(3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone (PubChem CID 116580557) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is (3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone
PubChem CID116580557
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name(3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1(C(=O)c2cccc(Cl)c2)CCCN1
InChIInChI=1S/C12H14ClNO/c1-12(6-3-7-14-12)11(15)9-4-2-5-10(13)8-9/h2,4-5,8,14H,3,6-7H2,1H3
InChIKeyRTMBMVPLOFUZEL-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylpyrrolidin-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 116580532
(4-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116614044
(3-ethoxyphenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580623
(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580446
(6-chloro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone
CID 90695211
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide
CID 134400651
(2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116613964
N-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxamide
CID 104596194
(2S)-N-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 141351303
2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580405
[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone
CID 107291162
[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone
CID 107291161

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone (CID 116580557) is (3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone is CC1(C(=O)c2cccc(Cl)c2)CCCN1.
What is the InChIKey of (3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone?
The InChIKey is RTMBMVPLOFUZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-12(6-3-7-14-12)11(15)9-4-2-5-10(13)8-9/h2,4-5,8,14H,3,6-7H2,1H3.
What are the key properties of (3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone?
(3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone has a molecular weight of 223.70 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 116580557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).