(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone

C12H14ClNO2 — CID 116568381

IUPAC(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
SMILESCOc1ccc(Cl)cc1C(=O)C1CCNC1
InChIInChI=1S/C12H14ClNO2/c1-16-11-3-2-9(13)6-10(11)12(15)8-4-5-14-7-8/h2-3,6,8,14H,4-5,7H2,1H3
InChIKeyDYGXYXLNTZMTEI-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.14
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone

(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone (PubChem CID 116568381) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
PubChem CID116568381
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
SMILESCOc1ccc(Cl)cc1C(=O)C1CCNC1
InChIInChI=1S/C12H14ClNO2/c1-16-11-3-2-9(13)6-10(11)12(15)8-4-5-14-7-8/h2-3,6,8,14H,4-5,7H2,1H3
InChIKeyDYGXYXLNTZMTEI-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone
CID 93188912
(2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone
CID 116568315
(5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone
CID 116916892
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
(5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-3-ylmethanone
CID 116916868
3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid
CID 103551811
(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone
CID 82550103
5-chloro-2-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556533
(3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568282
(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843
[2-methoxy-5-(trifluoromethyl)phenyl]-piperidin-3-ylmethanone
CID 82550498
(5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone
CID 82553003

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone (CID 116568381) is (5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone is COc1ccc(Cl)cc1C(=O)C1CCNC1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone?
The InChIKey is DYGXYXLNTZMTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-16-11-3-2-9(13)6-10(11)12(15)8-4-5-14-7-8/h2-3,6,8,14H,4-5,7H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone?
(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone has a molecular weight of 239.70 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 116568381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).