4-ethylidenehepta-1,6-diene;urea

C10H18N2O — CID 87388861

IUPAC4-ethylidenehepta-1,6-diene;urea
SMILESC=CCC(=CC)CC=C.NC(N)=O
InChIInChI=1S/C9H14.CH4N2O/c1-4-7-9(6-3)8-5-2;2-1(3)4/h4-6H,1-2,7-8H2,3H3;(H4,2,3,4)
InChIKeyXFEIQYQUYRJCOW-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.11
Rot. Bonds4

About 4-ethylidenehepta-1,6-diene;urea

4-ethylidenehepta-1,6-diene;urea (PubChem CID 87388861) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-ethylidenehepta-1,6-diene;urea.

Molecular Properties

Compound Name4-ethylidenehepta-1,6-diene;urea
PubChem CID87388861
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name4-ethylidenehepta-1,6-diene;urea
SMILESC=CCC(=CC)CC=C.NC(N)=O
InChIInChI=1S/C9H14.CH4N2O/c1-4-7-9(6-3)8-5-2;2-1(3)4/h4-6H,1-2,7-8H2,3H3;(H4,2,3,4)
InChIKeyXFEIQYQUYRJCOW-UHFFFAOYSA-N
XLogP2.11
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-ethylidenehepta-1,6-diene;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 4-ethylidenehepta-1,6-diene;urea?
The IUPAC name of 4-ethylidenehepta-1,6-diene;urea (CID 87388861) is 4-ethylidenehepta-1,6-diene;urea.
What is the SMILES notation for 4-ethylidenehepta-1,6-diene;urea?
The canonical SMILES for 4-ethylidenehepta-1,6-diene;urea is C=CCC(=CC)CC=C.NC(N)=O.
What is the InChIKey of 4-ethylidenehepta-1,6-diene;urea?
The InChIKey is XFEIQYQUYRJCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14.CH4N2O/c1-4-7-9(6-3)8-5-2;2-1(3)4/h4-6H,1-2,7-8H2,3H3;(H4,2,3,4).
What are the key properties of 4-ethylidenehepta-1,6-diene;urea?
4-ethylidenehepta-1,6-diene;urea has a molecular weight of 182.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidenehepta-1,6-diene;urea is sourced from PubChem (CID 87388861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).