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

C6H16N2O4 — CID 172927681

IUPAC(2E)-2-(dimethylhydrazinylidene)propane-1,1-diol;methanediol
SMILESC/C(=N\N(C)C)C(O)O.OCO
InChIInChI=1S/C5H12N2O2.CH4O2/c1-4(5(8)9)6-7(2)3;2-1-3/h5,8-9H,1-3H3;2-3H,1H2/b6-4+;
InChIKeyOESALCHQECBMPO-CVDVRWGVSA-N
MW180.20 g/mol
LogP-1.84
Rot. Bonds2

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

(2E)-2-(dimethylhydrazinylidene)propane-1,1-diol;methanediol (PubChem CID 172927681) has the molecular formula C6H16N2O4 and a molecular weight of 180.20 g/mol. Its IUPAC name is (2E)-2-(dimethylhydrazinylidene)propane-1,1-diol;methanediol.

Molecular Properties

Compound Name(2E)-2-(dimethylhydrazinylidene)propane-1,1-diol;methanediol
PubChem CID172927681
Molecular FormulaC6H16N2O4
Molecular Weight180.20 g/mol
Exact Mass180.11
IUPAC Name(2E)-2-(dimethylhydrazinylidene)propane-1,1-diol;methanediol
SMILESC/C(=N\N(C)C)C(O)O.OCO
InChIInChI=1S/C5H12N2O2.CH4O2/c1-4(5(8)9)6-7(2)3;2-1-3/h5,8-9H,1-3H3;2-3H,1H2/b6-4+;
InChIKeyOESALCHQECBMPO-CVDVRWGVSA-N
XLogP-1.84
TPSA96.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-1.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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;methanediol?
The IUPAC name of (2E)-2-(dimethylhydrazinylidene)propane-1,1-diol;methanediol (CID 172927681) is (2E)-2-(dimethylhydrazinylidene)propane-1,1-diol;methanediol.
What is the SMILES notation for (2E)-2-(dimethylhydrazinylidene)propane-1,1-diol;methanediol?
The canonical SMILES for (2E)-2-(dimethylhydrazinylidene)propane-1,1-diol;methanediol is C/C(=N\N(C)C)C(O)O.OCO.
What is the InChIKey of (2E)-2-(dimethylhydrazinylidene)propane-1,1-diol;methanediol?
The InChIKey is OESALCHQECBMPO-CVDVRWGVSA-N. The full InChI is InChI=1S/C5H12N2O2.CH4O2/c1-4(5(8)9)6-7(2)3;2-1-3/h5,8-9H,1-3H3;2-3H,1H2/b6-4+;.
What are the key properties of (2E)-2-(dimethylhydrazinylidene)propane-1,1-diol;methanediol?
(2E)-2-(dimethylhydrazinylidene)propane-1,1-diol;methanediol has a molecular weight of 180.20 g/mol, XLogP of -1.84, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(dimethylhydrazinylidene)propane-1,1-diol;methanediol is sourced from PubChem (CID 172927681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).