1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea

C14H17N3O2 — CID 110747922

IUPAC1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C14H17N3O2/c18-13-8-11(9-17(13)12-6-7-12)16-14(19)15-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H2,15,16,19)
InChIKeyPKYJYWRCCSGPRQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.57
Rot. Bonds3

About 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea

1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea (PubChem CID 110747922) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea
PubChem CID110747922
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C14H17N3O2/c18-13-8-11(9-17(13)12-6-7-12)16-14(19)15-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H2,15,16,19)
InChIKeyPKYJYWRCCSGPRQ-UHFFFAOYSA-N
XLogP1.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea
CID 110747923
1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea
CID 99847107
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea
CID 95985241
1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 96506763
1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038
benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate
CID 124505476
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea
CID 96997575
(E)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 95985178
1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969282
1-(4-bromophenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513457
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 95985193
1-(4-anilinophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969485

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea?
The IUPAC name of 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea (CID 110747922) is 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea?
The canonical SMILES for 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea is O=C(Nc1ccccc1)NC1CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea?
The InChIKey is PKYJYWRCCSGPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-13-8-11(9-17(13)12-6-7-12)16-14(19)15-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H2,15,16,19).
What are the key properties of 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea?
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea has a molecular weight of 259.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea is sourced from PubChem (CID 110747922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).