(2E)-2-(dimethylhydrazinylidene)propane-1,1-diol

C5H12N2O2 — CID 118313527

IUPAC(2E)-2-(dimethylhydrazinylidene)propane-1,1-diol
SMILESC/C(=N\N(C)C)C(O)O
InChIInChI=1S/C5H12N2O2/c1-4(5(8)9)6-7(2)3/h5,8-9H,1-3H3/b6-4+
InChIKeyGVAPUHNUFNYCBB-GQCTYLIASA-N
MW132.16 g/mol
LogP-0.77
Rot. Bonds2

About (2E)-2-(dimethylhydrazinylidene)propane-1,1-diol

(2E)-2-(dimethylhydrazinylidene)propane-1,1-diol (PubChem CID 118313527) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is (2E)-2-(dimethylhydrazinylidene)propane-1,1-diol.

Molecular Properties

Compound Name(2E)-2-(dimethylhydrazinylidene)propane-1,1-diol
PubChem CID118313527
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name(2E)-2-(dimethylhydrazinylidene)propane-1,1-diol
SMILESC/C(=N\N(C)C)C(O)O
InChIInChI=1S/C5H12N2O2/c1-4(5(8)9)6-7(2)3/h5,8-9H,1-3H3/b6-4+
InChIKeyGVAPUHNUFNYCBB-GQCTYLIASA-N
XLogP-0.77
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-(dimethylhydrazinylidene)propane-1,1-diol?
The IUPAC name of (2E)-2-(dimethylhydrazinylidene)propane-1,1-diol (CID 118313527) is (2E)-2-(dimethylhydrazinylidene)propane-1,1-diol.
What is the SMILES notation for (2E)-2-(dimethylhydrazinylidene)propane-1,1-diol?
The canonical SMILES for (2E)-2-(dimethylhydrazinylidene)propane-1,1-diol is C/C(=N\N(C)C)C(O)O.
What is the InChIKey of (2E)-2-(dimethylhydrazinylidene)propane-1,1-diol?
The InChIKey is GVAPUHNUFNYCBB-GQCTYLIASA-N. The full InChI is InChI=1S/C5H12N2O2/c1-4(5(8)9)6-7(2)3/h5,8-9H,1-3H3/b6-4+.
What are the key properties of (2E)-2-(dimethylhydrazinylidene)propane-1,1-diol?
(2E)-2-(dimethylhydrazinylidene)propane-1,1-diol has a molecular weight of 132.16 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(dimethylhydrazinylidene)propane-1,1-diol is sourced from PubChem (CID 118313527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).