1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea

C16H21N3O2 — CID 95985241

IUPAC1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1
InChIInChI=1S/C16H21N3O2/c1-10-5-11(2)7-12(6-10)17-16(21)18-13-8-15(20)19(9-13)14-3-4-14/h5-7,13-14H,3-4,8-9H2,1-2H3,(H2,17,18,21)/t13-/m0/s1
InChIKeyKZDIPZXDNMDNFH-ZDUSSCGKSA-N
MW287.36 g/mol
LogP2.19
Rot. Bonds3

About 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea

1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea (PubChem CID 95985241) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea
PubChem CID95985241
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1
InChIInChI=1S/C16H21N3O2/c1-10-5-11(2)7-12(6-10)17-16(21)18-13-8-15(20)19(9-13)14-3-4-14/h5-7,13-14H,3-4,8-9H2,1-2H3,(H2,17,18,21)/t13-/m0/s1
InChIKeyKZDIPZXDNMDNFH-ZDUSSCGKSA-N
XLogP2.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea
CID 110747922
1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea
CID 110747923
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea
CID 96997575
1-(3,5-dimethylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875895
1-(9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(3,5-dimethylphenyl)urea
CID 3217212
1-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-(4-methoxy-2-methylphenyl)urea
CID 25386143
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea
CID 119049065
1-(3-methylphenyl)-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513840
1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea
CID 99847107
1-(4-bromophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564143
1-(3-bromophenyl)-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513862
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 71924034

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea?
The IUPAC name of 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea (CID 95985241) is 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea.
What is the SMILES notation for 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea?
The canonical SMILES for 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea is Cc1cc(C)cc(NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1.
What is the InChIKey of 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea?
The InChIKey is KZDIPZXDNMDNFH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-5-11(2)7-12(6-10)17-16(21)18-13-8-15(20)19(9-13)14-3-4-14/h5-7,13-14H,3-4,8-9H2,1-2H3,(H2,17,18,21)/t13-/m0/s1.
What are the key properties of 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea?
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea has a molecular weight of 287.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea is sourced from PubChem (CID 95985241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).