(2E)-2-(iminohydrazinylidene)propan-1-ol

C3H7N3O — CID 90138202

IUPAC(2E)-2-(iminohydrazinylidene)propan-1-ol
SMILES[H]/N=N/N=C(\C)CO
InChIInChI=1S/C3H7N3O/c1-3(2-7)5-6-4/h4,7H,2H2,1H3/b5-3+,6-4+
InChIKeyQXHXMBIBTMIUBK-GGWOSOGESA-N
MW101.11 g/mol
LogP0.39
Rot. Bonds2

About (2E)-2-(iminohydrazinylidene)propan-1-ol

(2E)-2-(iminohydrazinylidene)propan-1-ol (PubChem CID 90138202) has the molecular formula C3H7N3O and a molecular weight of 101.11 g/mol. Its IUPAC name is (2E)-2-(iminohydrazinylidene)propan-1-ol.

Molecular Properties

Compound Name(2E)-2-(iminohydrazinylidene)propan-1-ol
PubChem CID90138202
Molecular FormulaC3H7N3O
Molecular Weight101.11 g/mol
Exact Mass101.06
IUPAC Name(2E)-2-(iminohydrazinylidene)propan-1-ol
SMILES[H]/N=N/N=C(\C)CO
InChIInChI=1S/C3H7N3O/c1-3(2-7)5-6-4/h4,7H,2H2,1H3/b5-3+,6-4+
InChIKeyQXHXMBIBTMIUBK-GGWOSOGESA-N
XLogP0.39
TPSA68.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(iminohydrazinylidene)propan-1-ol?
The IUPAC name of (2E)-2-(iminohydrazinylidene)propan-1-ol (CID 90138202) is (2E)-2-(iminohydrazinylidene)propan-1-ol.
What is the SMILES notation for (2E)-2-(iminohydrazinylidene)propan-1-ol?
The canonical SMILES for (2E)-2-(iminohydrazinylidene)propan-1-ol is [H]/N=N/N=C(\C)CO.
What is the InChIKey of (2E)-2-(iminohydrazinylidene)propan-1-ol?
The InChIKey is QXHXMBIBTMIUBK-GGWOSOGESA-N. The full InChI is InChI=1S/C3H7N3O/c1-3(2-7)5-6-4/h4,7H,2H2,1H3/b5-3+,6-4+.
What are the key properties of (2E)-2-(iminohydrazinylidene)propan-1-ol?
(2E)-2-(iminohydrazinylidene)propan-1-ol has a molecular weight of 101.11 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(iminohydrazinylidene)propan-1-ol is sourced from PubChem (CID 90138202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).