[(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]urea

C7H11N3O — CID 89319523

IUPAC[(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]urea
SMILESC=C(/C=C\C=C/N)NC(N)=O
InChIInChI=1S/C7H11N3O/c1-6(10-7(9)11)4-2-3-5-8/h2-5H,1,8H2,(H3,9,10,11)/b4-2-,5-3-
InChIKeyNGCINGYCIHXOSK-JVLMNHKTSA-N
MW153.18 g/mol
LogP0.20
Rot. Bonds3

About [(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]urea

[(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]urea (PubChem CID 89319523) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is [(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]urea.

Molecular Properties

Compound Name[(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]urea
PubChem CID89319523
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name[(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]urea
SMILESC=C(/C=C\C=C/N)NC(N)=O
InChIInChI=1S/C7H11N3O/c1-6(10-7(9)11)4-2-3-5-8/h2-5H,1,8H2,(H3,9,10,11)/b4-2-,5-3-
InChIKeyNGCINGYCIHXOSK-JVLMNHKTSA-N
XLogP0.20
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]urea?
The IUPAC name of [(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]urea (CID 89319523) is [(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]urea.
What is the SMILES notation for [(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]urea?
The canonical SMILES for [(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]urea is C=C(/C=C\C=C/N)NC(N)=O.
What is the InChIKey of [(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]urea?
The InChIKey is NGCINGYCIHXOSK-JVLMNHKTSA-N. The full InChI is InChI=1S/C7H11N3O/c1-6(10-7(9)11)4-2-3-5-8/h2-5H,1,8H2,(H3,9,10,11)/b4-2-,5-3-.
What are the key properties of [(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]urea?
[(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]urea has a molecular weight of 153.18 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]urea is sourced from PubChem (CID 89319523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).