(1E,3Z)-1,4-diaminopenta-1,3-dien-1-ol

C5H10N2O — CID 143326338

IUPAC(1E,3Z)-1,4-diaminopenta-1,3-dien-1-ol
SMILESC/C(N)=C/C=C(\N)O
InChIInChI=1S/C5H10N2O/c1-4(6)2-3-5(7)8/h2-3,8H,6-7H2,1H3/b4-2-,5-3+
InChIKeyNSDSMDOATLEZHJ-VOERYJCWSA-N
MW114.15 g/mol
LogP0.21
Rot. Bonds1

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

(1E,3Z)-1,4-diaminopenta-1,3-dien-1-ol (PubChem CID 143326338) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is (1E,3Z)-1,4-diaminopenta-1,3-dien-1-ol.

Molecular Properties

Compound Name(1E,3Z)-1,4-diaminopenta-1,3-dien-1-ol
PubChem CID143326338
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name(1E,3Z)-1,4-diaminopenta-1,3-dien-1-ol
SMILESC/C(N)=C/C=C(\N)O
InChIInChI=1S/C5H10N2O/c1-4(6)2-3-5(7)8/h2-3,8H,6-7H2,1H3/b4-2-,5-3+
InChIKeyNSDSMDOATLEZHJ-VOERYJCWSA-N
XLogP0.21
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.21
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-diaminopenta-1,3-dien-1-ol?
The IUPAC name of (1E,3Z)-1,4-diaminopenta-1,3-dien-1-ol (CID 143326338) is (1E,3Z)-1,4-diaminopenta-1,3-dien-1-ol.
What is the SMILES notation for (1E,3Z)-1,4-diaminopenta-1,3-dien-1-ol?
The canonical SMILES for (1E,3Z)-1,4-diaminopenta-1,3-dien-1-ol is C/C(N)=C/C=C(\N)O.
What is the InChIKey of (1E,3Z)-1,4-diaminopenta-1,3-dien-1-ol?
The InChIKey is NSDSMDOATLEZHJ-VOERYJCWSA-N. The full InChI is InChI=1S/C5H10N2O/c1-4(6)2-3-5(7)8/h2-3,8H,6-7H2,1H3/b4-2-,5-3+.
What are the key properties of (1E,3Z)-1,4-diaminopenta-1,3-dien-1-ol?
(1E,3Z)-1,4-diaminopenta-1,3-dien-1-ol has a molecular weight of 114.15 g/mol, XLogP of 0.21, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1,4-diaminopenta-1,3-dien-1-ol is sourced from PubChem (CID 143326338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).