(Z,2E)-4-amino-2-(aminomethylidene)but-3-en-1-ol

C5H10N2O — CID 143178256

IUPAC(Z,2E)-4-amino-2-(aminomethylidene)but-3-en-1-ol
SMILESN/C=C\C(=C/N)CO
InChIInChI=1S/C5H10N2O/c6-2-1-5(3-7)4-8/h1-3,8H,4,6-7H2/b2-1-,5-3+
InChIKeyIXTYACXURZQVFY-REDYYMJGSA-N
MW114.15 g/mol
LogP-0.71
Rot. Bonds2

About (Z,2E)-4-amino-2-(aminomethylidene)but-3-en-1-ol

(Z,2E)-4-amino-2-(aminomethylidene)but-3-en-1-ol (PubChem CID 143178256) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is (Z,2E)-4-amino-2-(aminomethylidene)but-3-en-1-ol.

Molecular Properties

Compound Name(Z,2E)-4-amino-2-(aminomethylidene)but-3-en-1-ol
PubChem CID143178256
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name(Z,2E)-4-amino-2-(aminomethylidene)but-3-en-1-ol
SMILESN/C=C\C(=C/N)CO
InChIInChI=1S/C5H10N2O/c6-2-1-5(3-7)4-8/h1-3,8H,4,6-7H2/b2-1-,5-3+
InChIKeyIXTYACXURZQVFY-REDYYMJGSA-N
XLogP-0.71
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2E)-4-amino-2-(aminomethylidene)but-3-en-1-ol?
The IUPAC name of (Z,2E)-4-amino-2-(aminomethylidene)but-3-en-1-ol (CID 143178256) is (Z,2E)-4-amino-2-(aminomethylidene)but-3-en-1-ol.
What is the SMILES notation for (Z,2E)-4-amino-2-(aminomethylidene)but-3-en-1-ol?
The canonical SMILES for (Z,2E)-4-amino-2-(aminomethylidene)but-3-en-1-ol is N/C=C\C(=C/N)CO.
What is the InChIKey of (Z,2E)-4-amino-2-(aminomethylidene)but-3-en-1-ol?
The InChIKey is IXTYACXURZQVFY-REDYYMJGSA-N. The full InChI is InChI=1S/C5H10N2O/c6-2-1-5(3-7)4-8/h1-3,8H,4,6-7H2/b2-1-,5-3+.
What are the key properties of (Z,2E)-4-amino-2-(aminomethylidene)but-3-en-1-ol?
(Z,2E)-4-amino-2-(aminomethylidene)but-3-en-1-ol has a molecular weight of 114.15 g/mol, XLogP of -0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-4-amino-2-(aminomethylidene)but-3-en-1-ol is sourced from PubChem (CID 143178256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).