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

C4H9N3O — CID 88905610

IUPAC(2E)-2-(methyliminohydrazinylidene)propan-1-ol
SMILESC/N=N/N=C(\C)CO
InChIInChI=1S/C4H9N3O/c1-4(3-8)6-7-5-2/h8H,3H2,1-2H3/b6-4+,7-5+
InChIKeyMLXJBZSGKAOHAK-YDFGWWAZSA-N
MW115.14 g/mol
LogP0.44
Rot. Bonds2

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

(2E)-2-(methyliminohydrazinylidene)propan-1-ol (PubChem CID 88905610) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is (2E)-2-(methyliminohydrazinylidene)propan-1-ol.

Molecular Properties

Compound Name(2E)-2-(methyliminohydrazinylidene)propan-1-ol
PubChem CID88905610
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Name(2E)-2-(methyliminohydrazinylidene)propan-1-ol
SMILESC/N=N/N=C(\C)CO
InChIInChI=1S/C4H9N3O/c1-4(3-8)6-7-5-2/h8H,3H2,1-2H3/b6-4+,7-5+
InChIKeyMLXJBZSGKAOHAK-YDFGWWAZSA-N
XLogP0.44
TPSA57.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 50.44
H-Bond Donors ≤ 51
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-(methyliminohydrazinylidene)propan-1-ol?
The IUPAC name of (2E)-2-(methyliminohydrazinylidene)propan-1-ol (CID 88905610) is (2E)-2-(methyliminohydrazinylidene)propan-1-ol.
What is the SMILES notation for (2E)-2-(methyliminohydrazinylidene)propan-1-ol?
The canonical SMILES for (2E)-2-(methyliminohydrazinylidene)propan-1-ol is C/N=N/N=C(\C)CO.
What is the InChIKey of (2E)-2-(methyliminohydrazinylidene)propan-1-ol?
The InChIKey is MLXJBZSGKAOHAK-YDFGWWAZSA-N. The full InChI is InChI=1S/C4H9N3O/c1-4(3-8)6-7-5-2/h8H,3H2,1-2H3/b6-4+,7-5+.
What are the key properties of (2E)-2-(methyliminohydrazinylidene)propan-1-ol?
(2E)-2-(methyliminohydrazinylidene)propan-1-ol has a molecular weight of 115.14 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(methyliminohydrazinylidene)propan-1-ol is sourced from PubChem (CID 88905610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).