1-(3-chlorophenyl)-4-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one

C19H20ClN3O2 — CID 47023982

IUPAC1-(3-chlorophenyl)-4-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one
SMILESCC1c2cccn2CCN1C(=O)C1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C19H20ClN3O2/c1-13-17-6-3-7-21(17)8-9-22(13)19(25)14-10-18(24)23(12-14)16-5-2-4-15(20)11-16/h2-7,11,13-14H,8-10,12H2,1H3
InChIKeyARIGVWOUUZNHFC-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.10
Rot. Bonds2

About 1-(3-chlorophenyl)-4-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one

1-(3-chlorophenyl)-4-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one (PubChem CID 47023982) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one
PubChem CID47023982
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name1-(3-chlorophenyl)-4-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one
SMILESCC1c2cccn2CCN1C(=O)C1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C19H20ClN3O2/c1-13-17-6-3-7-21(17)8-9-22(13)19(25)14-10-18(24)23(12-14)16-5-2-4-15(20)11-16/h2-7,11,13-14H,8-10,12H2,1H3
InChIKeyARIGVWOUUZNHFC-UHFFFAOYSA-N
XLogP3.10
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-(3-chlorophenyl)-4-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]pyrrolidin-2-one
CID 37445764
1-(3,4-dimethoxyphenyl)-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one
CID 55579263
(4S)-4-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124504956
(4S)-1-(3-chlorophenyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95352964
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-(3-chlorophenyl)pyrrolidin-2-one
CID 134035368
(4S)-1-(3-chlorophenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 29134624
(4S)-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 8550212
(4S)-1-(3-chlorophenyl)-4-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 51935556
(4R)-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 34365838
N',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 43059071
(4S)-N-tert-butyl-3-[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-1,3-thiazolidine-4-carboxamide
CID 52846292
1-(3-chlorophenyl)-4-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 55575327

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-4-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one (CID 47023982) is 1-(3-chlorophenyl)-4-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-4-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one is CC1c2cccn2CCN1C(=O)C1CC(=O)N(c2cccc(Cl)c2)C1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one?
The InChIKey is ARIGVWOUUZNHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-13-17-6-3-7-21(17)8-9-22(13)19(25)14-10-18(24)23(12-14)16-5-2-4-15(20)11-16/h2-7,11,13-14H,8-10,12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one?
1-(3-chlorophenyl)-4-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one has a molecular weight of 357.84 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 47023982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).