(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dien-1-ol

C10H12N2O — CID 142135189

IUPAC(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dien-1-ol
SMILESN/C(=C\C=C(/N)O)c1ccccc1
InChIInChI=1S/C10H12N2O/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-7,13H,11-12H2/b9-6-,10-7+
InChIKeyUOEZHZRQCPWQGB-PCCLLEMOSA-N
MW176.22 g/mol
LogP1.34
Rot. Bonds2

About (1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dien-1-ol

(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dien-1-ol (PubChem CID 142135189) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dien-1-ol.

Molecular Properties

Compound Name(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dien-1-ol
PubChem CID142135189
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dien-1-ol
SMILESN/C(=C\C=C(/N)O)c1ccccc1
InChIInChI=1S/C10H12N2O/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-7,13H,11-12H2/b9-6-,10-7+
InChIKeyUOEZHZRQCPWQGB-PCCLLEMOSA-N
XLogP1.34
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dien-1-ol?
The IUPAC name of (1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dien-1-ol (CID 142135189) is (1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dien-1-ol.
What is the SMILES notation for (1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dien-1-ol?
The canonical SMILES for (1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dien-1-ol is N/C(=C\C=C(/N)O)c1ccccc1.
What is the InChIKey of (1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dien-1-ol?
The InChIKey is UOEZHZRQCPWQGB-PCCLLEMOSA-N. The full InChI is InChI=1S/C10H12N2O/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-7,13H,11-12H2/b9-6-,10-7+.
What are the key properties of (1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dien-1-ol?
(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dien-1-ol has a molecular weight of 176.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dien-1-ol is sourced from PubChem (CID 142135189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).