[(4Z)-hexa-1,4-dien-3-ylidene]urea

C7H10N2O — CID 123714021

IUPAC[(4Z)-hexa-1,4-dien-3-ylidene]urea
SMILESC=CC(/C=C\C)=NC(N)=O
InChIInChI=1S/C7H10N2O/c1-3-5-6(4-2)9-7(8)10/h3-5H,2H2,1H3,(H2,8,10)/b5-3-,9-6?
InChIKeyLINREGQNAOLWCS-MBVLSBFJSA-N
MW138.17 g/mol
LogP1.27
Rot. Bonds2

About [(4Z)-hexa-1,4-dien-3-ylidene]urea

[(4Z)-hexa-1,4-dien-3-ylidene]urea (PubChem CID 123714021) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is [(4Z)-hexa-1,4-dien-3-ylidene]urea.

Molecular Properties

Compound Name[(4Z)-hexa-1,4-dien-3-ylidene]urea
PubChem CID123714021
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name[(4Z)-hexa-1,4-dien-3-ylidene]urea
SMILESC=CC(/C=C\C)=NC(N)=O
InChIInChI=1S/C7H10N2O/c1-3-5-6(4-2)9-7(8)10/h3-5H,2H2,1H3,(H2,8,10)/b5-3-,9-6?
InChIKeyLINREGQNAOLWCS-MBVLSBFJSA-N
XLogP1.27
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Penta-1,4-dien-3-ylideneurea
CID 21707262
But-3-en-2-ylideneurea
CID 90842412
[(3Z)-5-methylhepta-3,5-dien-2-ylidene]urea
CID 123593160
[(3Z)-hepta-3,5-dien-2-ylidene]urea
CID 123901556
[[(Z)-pent-3-en-2-ylidene]amino]methanamine
CID 124023882
(Z)-2-methyliminopent-3-enamide
CID 126689701
1-[[(Z)-pent-3-en-2-ylidene]amino]ethenamine
CID 147020358
[[(E)-pent-3-en-2-ylidene]amino]methanamine
CID 173610856
[(Z)-pent-3-en-2-ylidene]urea
CID 173905618
Pent-3-en-2-ylideneurea
CID 174541910
1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenamine
CID 143638811
methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate
CID 177189919

Frequently Asked Questions

What is the IUPAC name of [(4Z)-hexa-1,4-dien-3-ylidene]urea?
The IUPAC name of [(4Z)-hexa-1,4-dien-3-ylidene]urea (CID 123714021) is [(4Z)-hexa-1,4-dien-3-ylidene]urea.
What is the SMILES notation for [(4Z)-hexa-1,4-dien-3-ylidene]urea?
The canonical SMILES for [(4Z)-hexa-1,4-dien-3-ylidene]urea is C=CC(/C=C\C)=NC(N)=O.
What is the InChIKey of [(4Z)-hexa-1,4-dien-3-ylidene]urea?
The InChIKey is LINREGQNAOLWCS-MBVLSBFJSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-5-6(4-2)9-7(8)10/h3-5H,2H2,1H3,(H2,8,10)/b5-3-,9-6?.
What are the key properties of [(4Z)-hexa-1,4-dien-3-ylidene]urea?
[(4Z)-hexa-1,4-dien-3-ylidene]urea has a molecular weight of 138.17 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-hexa-1,4-dien-3-ylidene]urea is sourced from PubChem (CID 123714021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).