1-(1-methyl-2-oxopyrrolidin-3-yl)-3-(2,4,4-trimethylcyclohexyl)urea

C15H27N3O2 — CID 71862984

IUPAC1-(1-methyl-2-oxopyrrolidin-3-yl)-3-(2,4,4-trimethylcyclohexyl)urea
SMILESCC1CC(C)(C)CCC1NC(=O)NC1CCN(C)C1=O
InChIInChI=1S/C15H27N3O2/c1-10-9-15(2,3)7-5-11(10)16-14(20)17-12-6-8-18(4)13(12)19/h10-12H,5-9H2,1-4H3,(H2,16,17,20)
InChIKeyUEGYKHADPUVXSF-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.73
Rot. Bonds2

About 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-(2,4,4-trimethylcyclohexyl)urea

1-(1-methyl-2-oxopyrrolidin-3-yl)-3-(2,4,4-trimethylcyclohexyl)urea (PubChem CID 71862984) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-(2,4,4-trimethylcyclohexyl)urea.

Molecular Properties

Compound Name1-(1-methyl-2-oxopyrrolidin-3-yl)-3-(2,4,4-trimethylcyclohexyl)urea
PubChem CID71862984
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-(1-methyl-2-oxopyrrolidin-3-yl)-3-(2,4,4-trimethylcyclohexyl)urea
SMILESCC1CC(C)(C)CCC1NC(=O)NC1CCN(C)C1=O
InChIInChI=1S/C15H27N3O2/c1-10-9-15(2,3)7-5-11(10)16-14(20)17-12-6-8-18(4)13(12)19/h10-12H,5-9H2,1-4H3,(H2,16,17,20)
InChIKeyUEGYKHADPUVXSF-UHFFFAOYSA-N
XLogP1.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-(2,4,4-trimethylcyclohexyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-(2,4,4-trimethylcyclohexyl)urea?
The IUPAC name of 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-(2,4,4-trimethylcyclohexyl)urea (CID 71862984) is 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-(2,4,4-trimethylcyclohexyl)urea.
What is the SMILES notation for 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-(2,4,4-trimethylcyclohexyl)urea?
The canonical SMILES for 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-(2,4,4-trimethylcyclohexyl)urea is CC1CC(C)(C)CCC1NC(=O)NC1CCN(C)C1=O.
What is the InChIKey of 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-(2,4,4-trimethylcyclohexyl)urea?
The InChIKey is UEGYKHADPUVXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-10-9-15(2,3)7-5-11(10)16-14(20)17-12-6-8-18(4)13(12)19/h10-12H,5-9H2,1-4H3,(H2,16,17,20).
What are the key properties of 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-(2,4,4-trimethylcyclohexyl)urea?
1-(1-methyl-2-oxopyrrolidin-3-yl)-3-(2,4,4-trimethylcyclohexyl)urea has a molecular weight of 281.40 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-(2,4,4-trimethylcyclohexyl)urea is sourced from PubChem (CID 71862984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).