(2-chlorophenyl)-(2-propylpyrrolidin-2-yl)methanone

C14H18ClNO — CID 106976650

IUPAC(2-chlorophenyl)-(2-propylpyrrolidin-2-yl)methanone
SMILESCCCC1(C(=O)c2ccccc2Cl)CCCN1
InChIInChI=1S/C14H18ClNO/c1-2-8-14(9-5-10-16-14)13(17)11-6-3-4-7-12(11)15/h3-4,6-7,16H,2,5,8-10H2,1H3
InChIKeyXBNQHDTXOAOWOT-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.44
Rot. Bonds4

About (2-chlorophenyl)-(2-propylpyrrolidin-2-yl)methanone

(2-chlorophenyl)-(2-propylpyrrolidin-2-yl)methanone (PubChem CID 106976650) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is (2-chlorophenyl)-(2-propylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(2-propylpyrrolidin-2-yl)methanone
PubChem CID106976650
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name(2-chlorophenyl)-(2-propylpyrrolidin-2-yl)methanone
SMILESCCCC1(C(=O)c2ccccc2Cl)CCCN1
InChIInChI=1S/C14H18ClNO/c1-2-8-14(9-5-10-16-14)13(17)11-6-3-4-7-12(11)15/h3-4,6-7,16H,2,5,8-10H2,1H3
InChIKeyXBNQHDTXOAOWOT-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichlorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976775
N-(2,3-dichlorophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974147
(4-methylphenyl)-(2-propylpyrrolidin-2-yl)methanone
CID 106976718
(4-chloro-1-ethylpyrazol-5-yl)-(2-propylpyrrolidin-2-yl)methanone
CID 106976698
(2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116613964
cyclohepten-1-yl-(2-propylpyrrolidin-2-yl)methanone
CID 106976907
2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide
CID 106974176
(2-ethylpyrrolidin-2-yl)-phenylmethanone
CID 116608161
2-(3-chloro-4-fluorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976614
N-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973980
2-(2,6-dimethylphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976659
cyclopentyl-(2-propylpyrrolidin-2-yl)methanone
CID 106976587

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(2-propylpyrrolidin-2-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(2-propylpyrrolidin-2-yl)methanone (CID 106976650) is (2-chlorophenyl)-(2-propylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(2-propylpyrrolidin-2-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(2-propylpyrrolidin-2-yl)methanone is CCCC1(C(=O)c2ccccc2Cl)CCCN1.
What is the InChIKey of (2-chlorophenyl)-(2-propylpyrrolidin-2-yl)methanone?
The InChIKey is XBNQHDTXOAOWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-2-8-14(9-5-10-16-14)13(17)11-6-3-4-7-12(11)15/h3-4,6-7,16H,2,5,8-10H2,1H3.
What are the key properties of (2-chlorophenyl)-(2-propylpyrrolidin-2-yl)methanone?
(2-chlorophenyl)-(2-propylpyrrolidin-2-yl)methanone has a molecular weight of 251.76 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(2-propylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 106976650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).