1-butyl-3-(3-oxocyclohexen-1-yl)urea

C11H18N2O2 — CID 154390223

IUPAC1-butyl-3-(3-oxocyclohexen-1-yl)urea
SMILESCCCCNC(=O)NC1=CC(=O)CCC1
InChIInChI=1S/C11H18N2O2/c1-2-3-7-12-11(15)13-9-5-4-6-10(14)8-9/h8H,2-7H2,1H3,(H2,12,13,15)
InChIKeyNOOUGSSBMSGVBY-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.72
Rot. Bonds4

About 1-butyl-3-(3-oxocyclohexen-1-yl)urea

1-butyl-3-(3-oxocyclohexen-1-yl)urea (PubChem CID 154390223) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-butyl-3-(3-oxocyclohexen-1-yl)urea.

Molecular Properties

Compound Name1-butyl-3-(3-oxocyclohexen-1-yl)urea
PubChem CID154390223
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-butyl-3-(3-oxocyclohexen-1-yl)urea
SMILESCCCCNC(=O)NC1=CC(=O)CCC1
InChIInChI=1S/C11H18N2O2/c1-2-3-7-12-11(15)13-9-5-4-6-10(14)8-9/h8H,2-7H2,1H3,(H2,12,13,15)
InChIKeyNOOUGSSBMSGVBY-UHFFFAOYSA-N
XLogP1.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-butyl-3-(3-oxocyclohexen-1-yl)urea with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-oxocyclohexen-1-yl)octanamide
CID 53239922
3-(hexylamino)cyclohex-2-en-1-one
CID 137320218
1-butyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 17267646
1-butyl-3-(3,5-dimethoxyphenyl)urea
CID 47103671
3-(2-oxopropylamino)cyclohex-2-en-1-one
CID 86092292
1-butyl-3-(3,4,5-trimethoxyphenyl)urea
CID 47103391
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
1-butyl-3-(3,5-dichloro-4-hydroxyphenyl)urea
CID 82884668
1-butyl-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 63901957
1-butyl-3-(3-ethylpentan-3-yl)urea
CID 115660913
1-butyl-3-(1-methylpyrazol-4-yl)urea
CID 115581879
1-butyl-3-[(1-ethylcyclobutyl)methyl]urea
CID 103740930

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(3-oxocyclohexen-1-yl)urea?
The IUPAC name of 1-butyl-3-(3-oxocyclohexen-1-yl)urea (CID 154390223) is 1-butyl-3-(3-oxocyclohexen-1-yl)urea.
What is the SMILES notation for 1-butyl-3-(3-oxocyclohexen-1-yl)urea?
The canonical SMILES for 1-butyl-3-(3-oxocyclohexen-1-yl)urea is CCCCNC(=O)NC1=CC(=O)CCC1.
What is the InChIKey of 1-butyl-3-(3-oxocyclohexen-1-yl)urea?
The InChIKey is NOOUGSSBMSGVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-3-7-12-11(15)13-9-5-4-6-10(14)8-9/h8H,2-7H2,1H3,(H2,12,13,15).
What are the key properties of 1-butyl-3-(3-oxocyclohexen-1-yl)urea?
1-butyl-3-(3-oxocyclohexen-1-yl)urea has a molecular weight of 210.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(3-oxocyclohexen-1-yl)urea is sourced from PubChem (CID 154390223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).