4-(2-chloro-3,4-dimethoxyphenyl)-5-ethylpyrrolidin-2-one

C14H18ClNO3 — CID 66106794

IUPAC4-(2-chloro-3,4-dimethoxyphenyl)-5-ethylpyrrolidin-2-one
SMILESCCC1NC(=O)CC1c1ccc(OC)c(OC)c1Cl
InChIInChI=1S/C14H18ClNO3/c1-4-10-9(7-12(17)16-10)8-5-6-11(18-2)14(19-3)13(8)15/h5-6,9-10H,4,7H2,1-3H3,(H,16,17)
InChIKeyGTZWFJJNUIKJFB-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.74
Rot. Bonds4

About 4-(2-chloro-3,4-dimethoxyphenyl)-5-ethylpyrrolidin-2-one

4-(2-chloro-3,4-dimethoxyphenyl)-5-ethylpyrrolidin-2-one (PubChem CID 66106794) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 4-(2-chloro-3,4-dimethoxyphenyl)-5-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-chloro-3,4-dimethoxyphenyl)-5-ethylpyrrolidin-2-one
PubChem CID66106794
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name4-(2-chloro-3,4-dimethoxyphenyl)-5-ethylpyrrolidin-2-one
SMILESCCC1NC(=O)CC1c1ccc(OC)c(OC)c1Cl
InChIInChI=1S/C14H18ClNO3/c1-4-10-9(7-12(17)16-10)8-5-6-11(18-2)14(19-3)13(8)15/h5-6,9-10H,4,7H2,1-3H3,(H,16,17)
InChIKeyGTZWFJJNUIKJFB-UHFFFAOYSA-N
XLogP2.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Pyrrolidinone, 4-(3,4-dimethoxyphenyl)-
CID 11775680
(4R)-4-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 53237455
(4S)-4-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 53237456
4-(3,4-Dimethoxy-phenyl)-3-methyl-pyrrolidin-2-one
CID 14537155
2-Pyrrolidinone, 5-((3,4-dimethoxyphenyl)methyl)-3,3-dimethyl-
CID 3024924
2-Pyrrolidinone, 5-((3,4-dimethoxyphenyl)methyl)-3-phenyl-
CID 3024927
5-[(3,4-Dimethoxyphenyl)methyl]-3-methylidenepyrrolidin-2-one
CID 44400357
3-(2-Chloro-3-methoxyphenyl)-N-cyclopentylpropanamide
CID 24212834
3-(2-Chloro-3-methoxyphenyl)-N-isopropylpropanamide
CID 24212836
2-Acetamido-3-(2-chloro-3,4-dimethoxyphenyl)propanoic acid
CID 3731046
4-(3,4-Dimethoxyphenyl)-5-vinylpyrrolidin-2-one
CID 164576183
(5R)-5-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-one
CID 179009966

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3,4-dimethoxyphenyl)-5-ethylpyrrolidin-2-one?
The IUPAC name of 4-(2-chloro-3,4-dimethoxyphenyl)-5-ethylpyrrolidin-2-one (CID 66106794) is 4-(2-chloro-3,4-dimethoxyphenyl)-5-ethylpyrrolidin-2-one.
What is the SMILES notation for 4-(2-chloro-3,4-dimethoxyphenyl)-5-ethylpyrrolidin-2-one?
The canonical SMILES for 4-(2-chloro-3,4-dimethoxyphenyl)-5-ethylpyrrolidin-2-one is CCC1NC(=O)CC1c1ccc(OC)c(OC)c1Cl.
What is the InChIKey of 4-(2-chloro-3,4-dimethoxyphenyl)-5-ethylpyrrolidin-2-one?
The InChIKey is GTZWFJJNUIKJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-4-10-9(7-12(17)16-10)8-5-6-11(18-2)14(19-3)13(8)15/h5-6,9-10H,4,7H2,1-3H3,(H,16,17).
What are the key properties of 4-(2-chloro-3,4-dimethoxyphenyl)-5-ethylpyrrolidin-2-one?
4-(2-chloro-3,4-dimethoxyphenyl)-5-ethylpyrrolidin-2-one has a molecular weight of 283.75 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3,4-dimethoxyphenyl)-5-ethylpyrrolidin-2-one is sourced from PubChem (CID 66106794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).