1-(2-amino-6-chlorophenyl)-4-ethenylpyrrolidin-2-one

C12H13ClN2O — CID 168686471

IUPAC1-(2-amino-6-chlorophenyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2c(N)cccc2Cl)C1
InChIInChI=1S/C12H13ClN2O/c1-2-8-6-11(16)15(7-8)12-9(13)4-3-5-10(12)14/h2-5,8H,1,6-7,14H2
InChIKeyLHULMVNFQFOZNU-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.46
Rot. Bonds2

About 1-(2-amino-6-chlorophenyl)-4-ethenylpyrrolidin-2-one

1-(2-amino-6-chlorophenyl)-4-ethenylpyrrolidin-2-one (PubChem CID 168686471) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 1-(2-amino-6-chlorophenyl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-6-chlorophenyl)-4-ethenylpyrrolidin-2-one
PubChem CID168686471
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name1-(2-amino-6-chlorophenyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2c(N)cccc2Cl)C1
InChIInChI=1S/C12H13ClN2O/c1-2-8-6-11(16)15(7-8)12-9(13)4-3-5-10(12)14/h2-5,8H,1,6-7,14H2
InChIKeyLHULMVNFQFOZNU-UHFFFAOYSA-N
XLogP2.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoic acid
CID 168685566
methyl 3-chloro-2-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
CID 168684395
4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one
CID 168685589
1-(3,5-dibromo-4-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168685536
1-(3,5-dichloro-4-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168685956
1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168686018
1-(3-bromo-4-chlorophenyl)-4-ethenylpyrrolidin-2-one
CID 168685785
1-(2,6-dichlorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671276
4-ethenyl-1-pyrimidin-2-ylpyrrolidin-2-one
CID 168686694
1-(2,6-dichloro-4-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168686355
1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684807
1-[2-(aminomethyl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168685419

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-chlorophenyl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(2-amino-6-chlorophenyl)-4-ethenylpyrrolidin-2-one (CID 168686471) is 1-(2-amino-6-chlorophenyl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-amino-6-chlorophenyl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(2-amino-6-chlorophenyl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2c(N)cccc2Cl)C1.
What is the InChIKey of 1-(2-amino-6-chlorophenyl)-4-ethenylpyrrolidin-2-one?
The InChIKey is LHULMVNFQFOZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-2-8-6-11(16)15(7-8)12-9(13)4-3-5-10(12)14/h2-5,8H,1,6-7,14H2.
What are the key properties of 1-(2-amino-6-chlorophenyl)-4-ethenylpyrrolidin-2-one?
1-(2-amino-6-chlorophenyl)-4-ethenylpyrrolidin-2-one has a molecular weight of 236.70 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-chlorophenyl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168686471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).