2-(3-chlorophenyl)pyrrolidin-3-one;hydrochloride

C10H11Cl2NO — CID 115038654

IUPAC2-(3-chlorophenyl)pyrrolidin-3-one;hydrochloride
SMILESCl.O=C1CCNC1c1cccc(Cl)c1
InChIInChI=1S/C10H10ClNO.ClH/c11-8-3-1-2-7(6-8)10-9(13)4-5-12-10;/h1-3,6,10,12H,4-5H2;1H
InChIKeyFRZSBROJDRVHTP-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.37
Rot. Bonds1

About 2-(3-chlorophenyl)pyrrolidin-3-one;hydrochloride

2-(3-chlorophenyl)pyrrolidin-3-one;hydrochloride (PubChem CID 115038654) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 2-(3-chlorophenyl)pyrrolidin-3-one;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)pyrrolidin-3-one;hydrochloride
PubChem CID115038654
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name2-(3-chlorophenyl)pyrrolidin-3-one;hydrochloride
SMILESCl.O=C1CCNC1c1cccc(Cl)c1
InChIInChI=1S/C10H10ClNO.ClH/c11-8-3-1-2-7(6-8)10-9(13)4-5-12-10;/h1-3,6,10,12H,4-5H2;1H
InChIKeyFRZSBROJDRVHTP-UHFFFAOYSA-N
XLogP2.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)pyrrolidin-3-one
CID 83843081
6-(3-chlorophenyl)piperidine-2,5-dione
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CID 20787389
2-(3,4-dihydroxyphenyl)pyrrolidin-3-one
CID 83830296
2-(3-methoxyphenyl)piperidin-3-one;hydrochloride
CID 115044474
(2R)-2-(3-chlorophenyl)piperidine;hydrochloride
CID 154574647
3-(3-chlorophenyl)azetidine;hydrochloride
CID 72698856
(1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 96956787
4-amino-5-(3-chlorophenyl)-1,5-dihydroimidazol-2-one
CID 79960805
2-(3-chlorophenyl)azepane;hydrochloride
CID 46835309
2-(5-chlorofuran-2-yl)pyrrolidin-3-one
CID 83828885
2-(2-bromophenyl)pyrrolidin-3-one;hydrochloride
CID 115051098

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)pyrrolidin-3-one;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)pyrrolidin-3-one;hydrochloride (CID 115038654) is 2-(3-chlorophenyl)pyrrolidin-3-one;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)pyrrolidin-3-one;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)pyrrolidin-3-one;hydrochloride is Cl.O=C1CCNC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)pyrrolidin-3-one;hydrochloride?
The InChIKey is FRZSBROJDRVHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO.ClH/c11-8-3-1-2-7(6-8)10-9(13)4-5-12-10;/h1-3,6,10,12H,4-5H2;1H.
What are the key properties of 2-(3-chlorophenyl)pyrrolidin-3-one;hydrochloride?
2-(3-chlorophenyl)pyrrolidin-3-one;hydrochloride has a molecular weight of 232.11 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)pyrrolidin-3-one;hydrochloride is sourced from PubChem (CID 115038654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).