[(4E,5Z)-4-ethylideneocta-5,7-dien-3-yl]urea

C11H18N2O — CID 143306505

IUPAC[(4E,5Z)-4-ethylideneocta-5,7-dien-3-yl]urea
SMILESC=C/C=C\C(=C/C)C(CC)NC(N)=O
InChIInChI=1S/C11H18N2O/c1-4-7-8-9(5-2)10(6-3)13-11(12)14/h4-5,7-8,10H,1,6H2,2-3H3,(H3,12,13,14)/b8-7-,9-5+
InChIKeySJOPHTCJNRNYAZ-ISXYNVPDSA-N
MW194.28 g/mol
LogP2.12
Rot. Bonds5

About [(4E,5Z)-4-ethylideneocta-5,7-dien-3-yl]urea

[(4E,5Z)-4-ethylideneocta-5,7-dien-3-yl]urea (PubChem CID 143306505) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is [(4E,5Z)-4-ethylideneocta-5,7-dien-3-yl]urea.

Molecular Properties

Compound Name[(4E,5Z)-4-ethylideneocta-5,7-dien-3-yl]urea
PubChem CID143306505
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name[(4E,5Z)-4-ethylideneocta-5,7-dien-3-yl]urea
SMILESC=C/C=C\C(=C/C)C(CC)NC(N)=O
InChIInChI=1S/C11H18N2O/c1-4-7-8-9(5-2)10(6-3)13-11(12)14/h4-5,7-8,10H,1,6H2,2-3H3,(H3,12,13,14)/b8-7-,9-5+
InChIKeySJOPHTCJNRNYAZ-ISXYNVPDSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4E,5Z)-4-ethylideneocta-5,7-dien-3-yl]urea?
The IUPAC name of [(4E,5Z)-4-ethylideneocta-5,7-dien-3-yl]urea (CID 143306505) is [(4E,5Z)-4-ethylideneocta-5,7-dien-3-yl]urea.
What is the SMILES notation for [(4E,5Z)-4-ethylideneocta-5,7-dien-3-yl]urea?
The canonical SMILES for [(4E,5Z)-4-ethylideneocta-5,7-dien-3-yl]urea is C=C/C=C\C(=C/C)C(CC)NC(N)=O.
What is the InChIKey of [(4E,5Z)-4-ethylideneocta-5,7-dien-3-yl]urea?
The InChIKey is SJOPHTCJNRNYAZ-ISXYNVPDSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-7-8-9(5-2)10(6-3)13-11(12)14/h4-5,7-8,10H,1,6H2,2-3H3,(H3,12,13,14)/b8-7-,9-5+.
What are the key properties of [(4E,5Z)-4-ethylideneocta-5,7-dien-3-yl]urea?
[(4E,5Z)-4-ethylideneocta-5,7-dien-3-yl]urea has a molecular weight of 194.28 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E,5Z)-4-ethylideneocta-5,7-dien-3-yl]urea is sourced from PubChem (CID 143306505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).