[(4Z,6Z)-3-methylideneocta-4,6-dienyl]urea

C10H16N2O — CID 89058335

IUPAC[(4Z,6Z)-3-methylideneocta-4,6-dienyl]urea
SMILESC=C(/C=C\C=C/C)CCNC(N)=O
InChIInChI=1S/C10H16N2O/c1-3-4-5-6-9(2)7-8-12-10(11)13/h3-6H,2,7-8H2,1H3,(H3,11,12,13)/b4-3-,6-5-
InChIKeyPOKQAXIZYZIDMB-OUPQRBNQSA-N
MW180.25 g/mol
LogP1.73
Rot. Bonds5

About [(4Z,6Z)-3-methylideneocta-4,6-dienyl]urea

[(4Z,6Z)-3-methylideneocta-4,6-dienyl]urea (PubChem CID 89058335) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is [(4Z,6Z)-3-methylideneocta-4,6-dienyl]urea.

Molecular Properties

Compound Name[(4Z,6Z)-3-methylideneocta-4,6-dienyl]urea
PubChem CID89058335
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name[(4Z,6Z)-3-methylideneocta-4,6-dienyl]urea
SMILESC=C(/C=C\C=C/C)CCNC(N)=O
InChIInChI=1S/C10H16N2O/c1-3-4-5-6-9(2)7-8-12-10(11)13/h3-6H,2,7-8H2,1H3,(H3,11,12,13)/b4-3-,6-5-
InChIKeyPOKQAXIZYZIDMB-OUPQRBNQSA-N
XLogP1.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.73
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 [(4Z,6Z)-3-methylideneocta-4,6-dienyl]urea?
The IUPAC name of [(4Z,6Z)-3-methylideneocta-4,6-dienyl]urea (CID 89058335) is [(4Z,6Z)-3-methylideneocta-4,6-dienyl]urea.
What is the SMILES notation for [(4Z,6Z)-3-methylideneocta-4,6-dienyl]urea?
The canonical SMILES for [(4Z,6Z)-3-methylideneocta-4,6-dienyl]urea is C=C(/C=C\C=C/C)CCNC(N)=O.
What is the InChIKey of [(4Z,6Z)-3-methylideneocta-4,6-dienyl]urea?
The InChIKey is POKQAXIZYZIDMB-OUPQRBNQSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-4-5-6-9(2)7-8-12-10(11)13/h3-6H,2,7-8H2,1H3,(H3,11,12,13)/b4-3-,6-5-.
What are the key properties of [(4Z,6Z)-3-methylideneocta-4,6-dienyl]urea?
[(4Z,6Z)-3-methylideneocta-4,6-dienyl]urea has a molecular weight of 180.25 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z,6Z)-3-methylideneocta-4,6-dienyl]urea is sourced from PubChem (CID 89058335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).