1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea

C13H17N3O2 — CID 18564044

IUPAC1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
SMILESCN(C)C(=O)NC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C13H17N3O2/c1-15(2)13(18)14-10-8-12(17)16(9-10)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,18)
InChIKeyRAVTWUWVZJLAFV-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.06
Rot. Bonds2

About 1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea

1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea (PubChem CID 18564044) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
PubChem CID18564044
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
SMILESCN(C)C(=O)NC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C13H17N3O2/c1-15(2)13(18)14-10-8-12(17)16(9-10)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,18)
InChIKeyRAVTWUWVZJLAFV-UHFFFAOYSA-N
XLogP1.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969207
1-ethyl-1-(2-hydroxyethyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513218
3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-dimethylurea
CID 7545527
1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea
CID 43969233
1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea
CID 43969205
(2R)-2-amino-N-(5-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119305747
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide
CID 7546570
1-benzyl-1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564047
1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513394
1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea
CID 110459954
1-methyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1-(2-pyrazin-2-ylethyl)urea
CID 125136369
3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546685

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea (CID 18564044) is 1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea is CN(C)C(=O)NC1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea?
The InChIKey is RAVTWUWVZJLAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-15(2)13(18)14-10-8-12(17)16(9-10)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,18).
What are the key properties of 1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea?
1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea has a molecular weight of 247.30 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea is sourced from PubChem (CID 18564044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).