3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea

C15H26N4O2 — CID 158151741

IUPAC3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea
SMILESC=CC(C=C)=CC.C=CC=CC=C.NC(N)=O.NC(N)=O
InChIInChI=1S/C7H10.C6H8.2CH4N2O/c1-4-7(5-2)6-3;1-3-5-6-4-2;2*2-1(3)4/h4-6H,1-2H2,3H3;3-6H,1-2H2;2*(H4,2,3,4)
InChIKeyFVESJASILJQVSP-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.27
Rot. Bonds4

About 3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea

3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea (PubChem CID 158151741) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea.

Molecular Properties

Compound Name3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea
PubChem CID158151741
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea
SMILESC=CC(C=C)=CC.C=CC=CC=C.NC(N)=O.NC(N)=O
InChIInChI=1S/C7H10.C6H8.2CH4N2O/c1-4-7(5-2)6-3;1-3-5-6-4-2;2*2-1(3)4/h4-6H,1-2H2,3H3;3-6H,1-2H2;2*(H4,2,3,4)
InChIKeyFVESJASILJQVSP-UHFFFAOYSA-N
XLogP2.27
TPSA138.22 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;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 3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea?
The IUPAC name of 3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea (CID 158151741) is 3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea.
What is the SMILES notation for 3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea?
The canonical SMILES for 3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea is C=CC(C=C)=CC.C=CC=CC=C.NC(N)=O.NC(N)=O.
What is the InChIKey of 3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea?
The InChIKey is FVESJASILJQVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.C6H8.2CH4N2O/c1-4-7(5-2)6-3;1-3-5-6-4-2;2*2-1(3)4/h4-6H,1-2H2,3H3;3-6H,1-2H2;2*(H4,2,3,4).
What are the key properties of 3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea?
3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea has a molecular weight of 294.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea is sourced from PubChem (CID 158151741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).