1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C13H16N2O3 — CID 75532056

IUPAC1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(N)=O)CC1=O
InChIInChI=1S/C13H16N2O3/c1-18-11-5-3-2-4-9(11)7-15-8-10(13(14)17)6-12(15)16/h2-5,10H,6-8H2,1H3,(H2,14,17)
InChIKeyOROYSOLBVZCRAY-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.53
Rot. Bonds4

About 1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 75532056) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID75532056
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(N)=O)CC1=O
InChIInChI=1S/C13H16N2O3/c1-18-11-5-3-2-4-9(11)7-15-8-10(13(14)17)6-12(15)16/h2-5,10H,6-8H2,1H3,(H2,14,17)
InChIKeyOROYSOLBVZCRAY-UHFFFAOYSA-N
XLogP0.53
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 168697402
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97032922
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 83290643
1-[(2-methoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168696642
(3S)-N-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 93018180
1-[(2-methoxyphenyl)methyl]-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 46109903
N-(3,5-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46172093
(4S)-1-[(2-methoxyphenyl)methyl]-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
CID 95719078
N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109904
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 46109895
N-(3,4-difluorophenyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183892
1-[(2-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113183860

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 75532056) is 1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccccc1CN1CC(C(N)=O)CC1=O.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OROYSOLBVZCRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-11-5-3-2-4-9(11)7-15-8-10(13(14)17)6-12(15)16/h2-5,10H,6-8H2,1H3,(H2,14,17).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 75532056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).