[4-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]phenyl]urea

C13H17N3O2 — CID 175835226

IUPAC[4-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]phenyl]urea
SMILESCC1CCN(Cc2ccc(NC(N)=O)cc2)C1=O
InChIInChI=1S/C13H17N3O2/c1-9-6-7-16(12(9)17)8-10-2-4-11(5-3-10)15-13(14)18/h2-5,9H,6-8H2,1H3,(H3,14,15,18)
InChIKeyFDTKGDHZXOYQAO-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.55
Rot. Bonds3

About [4-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]phenyl]urea

[4-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]phenyl]urea (PubChem CID 175835226) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [4-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name[4-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]phenyl]urea
PubChem CID175835226
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name[4-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]phenyl]urea
SMILESCC1CCN(Cc2ccc(NC(N)=O)cc2)C1=O
InChIInChI=1S/C13H17N3O2/c1-9-6-7-16(12(9)17)8-10-2-4-11(5-3-10)15-13(14)18/h2-5,9H,6-8H2,1H3,(H3,14,15,18)
InChIKeyFDTKGDHZXOYQAO-UHFFFAOYSA-N
XLogP1.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 140665359
1-[4-(methoxymethyl)phenyl]-3-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]urea
CID 119049842
1-[(4-iodophenyl)methyl]-3-methylpiperidin-2-one
CID 104680275
(3S)-3-hydroxy-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 118207331
(3S)-3-methyl-1-[(3-phenylphenyl)methyl]pyrrolidin-2-one
CID 97284261
[4-(carbamoylamino)phenyl]methanesulfonyl chloride
CID 117374915
[4-(2-chloroethyl)phenyl]urea
CID 70156688
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
2-amino-2-methyl-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide;hydrochloride
CID 119285117
1-[(4-methoxyphenyl)methyl]-3-[4-[[(4R)-4-methyl-2-oxopiperidin-1-yl]methyl]phenyl]urea
CID 156824565
[4-(cyclopropylamino)phenyl]urea
CID 103439135

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]phenyl]urea?
The IUPAC name of [4-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]phenyl]urea (CID 175835226) is [4-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]phenyl]urea.
What is the SMILES notation for [4-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]phenyl]urea?
The canonical SMILES for [4-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]phenyl]urea is CC1CCN(Cc2ccc(NC(N)=O)cc2)C1=O.
What is the InChIKey of [4-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]phenyl]urea?
The InChIKey is FDTKGDHZXOYQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-6-7-16(12(9)17)8-10-2-4-11(5-3-10)15-13(14)18/h2-5,9H,6-8H2,1H3,(H3,14,15,18).
What are the key properties of [4-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]phenyl]urea?
[4-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]phenyl]urea has a molecular weight of 247.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]phenyl]urea is sourced from PubChem (CID 175835226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).