[(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]urea

C8H13N3O — CID 138478266

IUPAC[(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]urea
SMILESC=C/C=C(\C=C/N)CNC(N)=O
InChIInChI=1S/C8H13N3O/c1-2-3-7(4-5-9)6-11-8(10)12/h2-5H,1,6,9H2,(H3,10,11,12)/b5-4-,7-3+
InChIKeySLMOJOKBEWLOTM-SBYNAHCQSA-N
MW167.21 g/mol
LogP0.24
Rot. Bonds4

About [(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]urea

[(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]urea (PubChem CID 138478266) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is [(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]urea.

Molecular Properties

Compound Name[(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]urea
PubChem CID138478266
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name[(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]urea
SMILESC=C/C=C(\C=C/N)CNC(N)=O
InChIInChI=1S/C8H13N3O/c1-2-3-7(4-5-9)6-11-8(10)12/h2-5H,1,6,9H2,(H3,10,11,12)/b5-4-,7-3+
InChIKeySLMOJOKBEWLOTM-SBYNAHCQSA-N
XLogP0.24
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]urea
CID 164902264
Cyclohexa-1,5-dien-1-ylmethylurea
CID 18766888
4-methyl-2H-pyridine-1-carboxamide
CID 20438361
7H-1,7-naphthyridine-1-carboxamide
CID 69186890
3,5-Dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 69672579
2-Methylidenebut-3-enylurea
CID 88982925
3-[(3Z,5Z)-6-amino-4-ethenylhexa-1,3,5-trien-2-yl]-1,1-dimethylurea
CID 89229687
3-ethyl-2H-pyridine-1-carboxamide
CID 90817866
N,4-dimethyl-2H-pyridine-1-carboxamide
CID 91236671
3-ethenyl-2H-pyridine-1-carboxamide
CID 91567330
(Z,3E)-N'-(1-aminopropa-1,2-dienyl)-3-prop-2-enylidenebut-1-ene-1,4-diamine
CID 117943593
4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dihydroimidazol-2-one
CID 134278061

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]urea?
The IUPAC name of [(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]urea (CID 138478266) is [(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]urea.
What is the SMILES notation for [(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]urea?
The canonical SMILES for [(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]urea is C=C/C=C(\C=C/N)CNC(N)=O.
What is the InChIKey of [(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]urea?
The InChIKey is SLMOJOKBEWLOTM-SBYNAHCQSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-3-7(4-5-9)6-11-8(10)12/h2-5H,1,6,9H2,(H3,10,11,12)/b5-4-,7-3+.
What are the key properties of [(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]urea?
[(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]urea has a molecular weight of 167.21 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]urea is sourced from PubChem (CID 138478266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).