cyclohex-3-en-1-ylurea

C7H12N2O — CID 20542809

IUPACcyclohex-3-en-1-ylurea
SMILESNC(=O)NC1CC=CCC1
InChIInChI=1S/C7H12N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H3,8,9,10)
InChIKeyWKLWHSVZPGEDBC-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.76
Rot. Bonds1

About cyclohex-3-en-1-ylurea

cyclohex-3-en-1-ylurea (PubChem CID 20542809) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is cyclohex-3-en-1-ylurea.

Molecular Properties

Compound Namecyclohex-3-en-1-ylurea
PubChem CID20542809
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Namecyclohex-3-en-1-ylurea
SMILESNC(=O)NC1CC=CCC1
InChIInChI=1S/C7H12N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H3,8,9,10)
InChIKeyWKLWHSVZPGEDBC-UHFFFAOYSA-N
XLogP0.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Isopropyl-3-((4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl)-urea
CID 10689907
3-Cyclohex-2-en-1-yl-1,1-dimethylurea
CID 15112130
1-Cyclohex-2-en-1-yl-3-(2-fluoroethyl)urea
CID 280779
1-Cyclopent-2-en-1-yl-3-(2-fluoroethyl)urea
CID 57884207
1,3,3a,4,7,7a-Hexahydrobenzimidazol-2-one
CID 22268054
1,1-dimethyl-3-[(E)-non-5-en-4-yl]urea
CID 134989520
3-[(E)-hept-2-en-4-yl]-1,1-dimethylurea
CID 134989608
(3aS,7aS)-1,3,3a,4,7,7a-hexahydrobenzimidazol-2-one
CID 178338549
1-Cyclohex-3-en-1-yl-3-(2,2,2-trifluoroethyl)urea
CID 115640215
1-Cyclohex-2-en-1-yl-3-(2,2-difluoroethyl)urea
CID 126771483
1-Cyclohex-3-en-1-yl-3-(2-fluoroethyl)urea
CID 130667484
N-cyclohex-3-en-1-yl-3-fluoroazetidine-1-carboxamide
CID 132354171

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-ylurea?
The IUPAC name of cyclohex-3-en-1-ylurea (CID 20542809) is cyclohex-3-en-1-ylurea.
What is the SMILES notation for cyclohex-3-en-1-ylurea?
The canonical SMILES for cyclohex-3-en-1-ylurea is NC(=O)NC1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-ylurea?
The InChIKey is WKLWHSVZPGEDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H3,8,9,10).
What are the key properties of cyclohex-3-en-1-ylurea?
cyclohex-3-en-1-ylurea has a molecular weight of 140.19 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-ylurea is sourced from PubChem (CID 20542809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).