(2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone

C13H17ClN2O — CID 110472965

IUPAC(2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccccc2Cl)C1
InChIInChI=1S/C13H17ClN2O/c1-15(2)10-7-8-16(9-10)13(17)11-5-3-4-6-12(11)14/h3-6,10H,7-9H2,1-2H3
InChIKeyIEVZECLDORKJGM-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.12
Rot. Bonds2

About (2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone

(2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 110472965) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is (2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID110472965
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name(2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccccc2Cl)C1
InChIInChI=1S/C13H17ClN2O/c1-15(2)10-7-8-16(9-10)13(17)11-5-3-4-6-12(11)14/h3-6,10H,7-9H2,1-2H3
InChIKeyIEVZECLDORKJGM-UHFFFAOYSA-N
XLogP2.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 110472052
(3-bromo-2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 113362425
(4-chloro-3-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 81226397
(5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63165270
[(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride
CID 119934556
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
(3-amino-2-chlorophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 112576020
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
(2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 114344485
(4-chloro-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 81233181
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 110472965) is (2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2ccccc2Cl)C1.
What is the InChIKey of (2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is IEVZECLDORKJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-15(2)10-7-8-16(9-10)13(17)11-5-3-4-6-12(11)14/h3-6,10H,7-9H2,1-2H3.
What are the key properties of (2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
(2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 252.75 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110472965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).