[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea

C12H15N3O3 — CID 43969807

IUPAC[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCOc1cccc(N2CC(NC(N)=O)CC2=O)c1
InChIInChI=1S/C12H15N3O3/c1-18-10-4-2-3-9(6-10)15-7-8(5-11(15)16)14-12(13)17/h2-4,6,8H,5,7H2,1H3,(H3,13,14,17)
InChIKeyJBJWVOWKCAMZJU-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.47
Rot. Bonds3

About [1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea

[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 43969807) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is [1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID43969807
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCOc1cccc(N2CC(NC(N)=O)CC2=O)c1
InChIInChI=1S/C12H15N3O3/c1-18-10-4-2-3-9(6-10)15-7-8(5-11(15)16)14-12(13)17/h2-4,6,8H,5,7H2,1H3,(H3,13,14,17)
InChIKeyJBJWVOWKCAMZJU-UHFFFAOYSA-N
XLogP0.47
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548080
ethyl 2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoacetate
CID 7548348
1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544056
3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-di(propan-2-yl)urea
CID 7543850
1-cycloheptyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544202
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43970943
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide
CID 43970913
4-acetyl-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7215239
1-(3,4-dimethoxyphenyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564233
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
CID 7255137
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide
CID 7215126
4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822178

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of [1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea (CID 43969807) is [1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for [1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for [1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea is COc1cccc(N2CC(NC(N)=O)CC2=O)c1.
What is the InChIKey of [1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is JBJWVOWKCAMZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-18-10-4-2-3-9(6-10)15-7-8(5-11(15)16)14-12(13)17/h2-4,6,8H,5,7H2,1H3,(H3,13,14,17).
What are the key properties of [1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 249.27 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 43969807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).