2-(2,2-diaminoethenyl)propane-1,3-diol

C5H12N2O2 — CID 175450023

IUPAC2-(2,2-diaminoethenyl)propane-1,3-diol
SMILESNC(N)=CC(CO)CO
InChIInChI=1S/C5H12N2O2/c6-5(7)1-4(2-8)3-9/h1,4,8-9H,2-3,6-7H2
InChIKeyQMMGKKALNHSBIH-UHFFFAOYSA-N
MW132.16 g/mol
LogP-1.65
Rot. Bonds3

About 2-(2,2-diaminoethenyl)propane-1,3-diol

2-(2,2-diaminoethenyl)propane-1,3-diol (PubChem CID 175450023) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-(2,2-diaminoethenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(2,2-diaminoethenyl)propane-1,3-diol
PubChem CID175450023
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name2-(2,2-diaminoethenyl)propane-1,3-diol
SMILESNC(N)=CC(CO)CO
InChIInChI=1S/C5H12N2O2/c6-5(7)1-4(2-8)3-9/h1,4,8-9H,2-3,6-7H2
InChIKeyQMMGKKALNHSBIH-UHFFFAOYSA-N
XLogP-1.65
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-Diaminobut-3-en-1-ol
CID 20348800
4,4-Diamino-2-ethylbut-3-en-1-ol
CID 155659547

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diaminoethenyl)propane-1,3-diol?
The IUPAC name of 2-(2,2-diaminoethenyl)propane-1,3-diol (CID 175450023) is 2-(2,2-diaminoethenyl)propane-1,3-diol.
What is the SMILES notation for 2-(2,2-diaminoethenyl)propane-1,3-diol?
The canonical SMILES for 2-(2,2-diaminoethenyl)propane-1,3-diol is NC(N)=CC(CO)CO.
What is the InChIKey of 2-(2,2-diaminoethenyl)propane-1,3-diol?
The InChIKey is QMMGKKALNHSBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c6-5(7)1-4(2-8)3-9/h1,4,8-9H,2-3,6-7H2.
What are the key properties of 2-(2,2-diaminoethenyl)propane-1,3-diol?
2-(2,2-diaminoethenyl)propane-1,3-diol has a molecular weight of 132.16 g/mol, XLogP of -1.65, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diaminoethenyl)propane-1,3-diol is sourced from PubChem (CID 175450023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).