(5Z)-5-[chloro-(4-methoxyphenyl)methylidene]pyrrolidin-2-one

C12H12ClNO2 — CID 138984196

IUPAC(5Z)-5-[chloro-(4-methoxyphenyl)methylidene]pyrrolidin-2-one
SMILESCOc1ccc(/C(Cl)=C2\CCC(=O)N2)cc1
InChIInChI=1S/C12H12ClNO2/c1-16-9-4-2-8(3-5-9)12(13)10-6-7-11(15)14-10/h2-5H,6-7H2,1H3,(H,14,15)/b12-10-
InChIKeyCWWVJYLBUSGUFY-BENRWUELSA-N
MW237.69 g/mol
LogP2.51
Rot. Bonds2

About (5Z)-5-[chloro-(4-methoxyphenyl)methylidene]pyrrolidin-2-one

(5Z)-5-[chloro-(4-methoxyphenyl)methylidene]pyrrolidin-2-one (PubChem CID 138984196) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is (5Z)-5-[chloro-(4-methoxyphenyl)methylidene]pyrrolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-[chloro-(4-methoxyphenyl)methylidene]pyrrolidin-2-one
PubChem CID138984196
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name(5Z)-5-[chloro-(4-methoxyphenyl)methylidene]pyrrolidin-2-one
SMILESCOc1ccc(/C(Cl)=C2\CCC(=O)N2)cc1
InChIInChI=1S/C12H12ClNO2/c1-16-9-4-2-8(3-5-9)12(13)10-6-7-11(15)14-10/h2-5H,6-7H2,1H3,(H,14,15)/b12-10-
InChIKeyCWWVJYLBUSGUFY-BENRWUELSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 44627215
4-(4'-methoxyphenyl)-5-methylene-2(5H)pyrolone
CID 86691032
N-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]acetamide
CID 135086070
1-[(Z)-2-(4-methoxyphenyl)ethenyl]pyrrolidin-2-one
CID 101734688
N-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]acetamide
CID 12470149
2-Pyrrolidinone, 3-[(4-methoxyphenyl)methylene]-
CID 6375812
(5E)-4-methylidene-5-[(E)-2-[4-(trifluoromethoxy)phenyl]but-2-enylidene]pyrrolidin-2-one;molecular hydrogen
CID 142412818
5-(4-Methoxyphenyl)-3,6-dimethyl-2-pyridone
CID 13416484
N-[(Z)-1-(4-methoxyphenyl)prop-1-en-2-yl]acetamide
CID 12470150
N-[3-(4-methoxyphenyl)buta-1,3-dien-2-yl]acetamide
CID 134830551
(3E)-3-[(3-fluoro-4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 65101370
3-[1-(3-Fluoro-4-methoxyphenyl)ethylidene]pyrrolidine-2,5-dione
CID 77039888

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[chloro-(4-methoxyphenyl)methylidene]pyrrolidin-2-one?
The IUPAC name of (5Z)-5-[chloro-(4-methoxyphenyl)methylidene]pyrrolidin-2-one (CID 138984196) is (5Z)-5-[chloro-(4-methoxyphenyl)methylidene]pyrrolidin-2-one.
What is the SMILES notation for (5Z)-5-[chloro-(4-methoxyphenyl)methylidene]pyrrolidin-2-one?
The canonical SMILES for (5Z)-5-[chloro-(4-methoxyphenyl)methylidene]pyrrolidin-2-one is COc1ccc(/C(Cl)=C2\CCC(=O)N2)cc1.
What is the InChIKey of (5Z)-5-[chloro-(4-methoxyphenyl)methylidene]pyrrolidin-2-one?
The InChIKey is CWWVJYLBUSGUFY-BENRWUELSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-16-9-4-2-8(3-5-9)12(13)10-6-7-11(15)14-10/h2-5H,6-7H2,1H3,(H,14,15)/b12-10-.
What are the key properties of (5Z)-5-[chloro-(4-methoxyphenyl)methylidene]pyrrolidin-2-one?
(5Z)-5-[chloro-(4-methoxyphenyl)methylidene]pyrrolidin-2-one has a molecular weight of 237.69 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[chloro-(4-methoxyphenyl)methylidene]pyrrolidin-2-one is sourced from PubChem (CID 138984196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).