[1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethylideneamino]urea

C15H25N3O — CID 2840433

IUPAC[1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethylideneamino]urea
SMILESCC(C)=CCCC1=CCC(C(C)=NNC(N)=O)CC1
InChIInChI=1S/C15H25N3O/c1-11(2)5-4-6-13-7-9-14(10-8-13)12(3)17-18-15(16)19/h5,7,14H,4,6,8-10H2,1-3H3,(H3,16,18,19)
InChIKeyWHFWQOLTYRCHGU-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.50
Rot. Bonds5

About [1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethylideneamino]urea

[1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethylideneamino]urea (PubChem CID 2840433) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethylideneamino]urea.

Molecular Properties

Compound Name[1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethylideneamino]urea
PubChem CID2840433
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name[1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethylideneamino]urea
SMILESCC(C)=CCCC1=CCC(C(C)=NNC(N)=O)CC1
InChIInChI=1S/C15H25N3O/c1-11(2)5-4-6-13-7-9-14(10-8-13)12(3)17-18-15(16)19/h5,7,14H,4,6,8-10H2,1-3H3,(H3,16,18,19)
InChIKeyWHFWQOLTYRCHGU-UHFFFAOYSA-N
XLogP3.50
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethylideneamino]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-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethylideneamino]urea?
The IUPAC name of [1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethylideneamino]urea (CID 2840433) is [1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethylideneamino]urea.
What is the SMILES notation for [1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethylideneamino]urea?
The canonical SMILES for [1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethylideneamino]urea is CC(C)=CCCC1=CCC(C(C)=NNC(N)=O)CC1.
What is the InChIKey of [1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethylideneamino]urea?
The InChIKey is WHFWQOLTYRCHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)5-4-6-13-7-9-14(10-8-13)12(3)17-18-15(16)19/h5,7,14H,4,6,8-10H2,1-3H3,(H3,16,18,19).
What are the key properties of [1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethylideneamino]urea?
[1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethylideneamino]urea has a molecular weight of 263.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethylideneamino]urea is sourced from PubChem (CID 2840433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).