2-(2-aminoethylidene)propane-1,3-diol;hydrochloride

C5H12ClNO2 — CID 173308563

IUPAC2-(2-aminoethylidene)propane-1,3-diol;hydrochloride
SMILESCl.NCC=C(CO)CO
InChIInChI=1S/C5H11NO2.ClH/c6-2-1-5(3-7)4-8;/h1,7-8H,2-4,6H2;1H
InChIKeyIQGAZQYOGXCCAG-UHFFFAOYSA-N
MW153.61 g/mol
LogP-0.72
Rot. Bonds3

About 2-(2-aminoethylidene)propane-1,3-diol;hydrochloride

2-(2-aminoethylidene)propane-1,3-diol;hydrochloride (PubChem CID 173308563) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is 2-(2-aminoethylidene)propane-1,3-diol;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethylidene)propane-1,3-diol;hydrochloride
PubChem CID173308563
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name2-(2-aminoethylidene)propane-1,3-diol;hydrochloride
SMILESCl.NCC=C(CO)CO
InChIInChI=1S/C5H11NO2.ClH/c6-2-1-5(3-7)4-8;/h1,7-8H,2-4,6H2;1H
InChIKeyIQGAZQYOGXCCAG-UHFFFAOYSA-N
XLogP-0.72
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylidene)propane-1,3-diol;hydrochloride?
The IUPAC name of 2-(2-aminoethylidene)propane-1,3-diol;hydrochloride (CID 173308563) is 2-(2-aminoethylidene)propane-1,3-diol;hydrochloride.
What is the SMILES notation for 2-(2-aminoethylidene)propane-1,3-diol;hydrochloride?
The canonical SMILES for 2-(2-aminoethylidene)propane-1,3-diol;hydrochloride is Cl.NCC=C(CO)CO.
What is the InChIKey of 2-(2-aminoethylidene)propane-1,3-diol;hydrochloride?
The InChIKey is IQGAZQYOGXCCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c6-2-1-5(3-7)4-8;/h1,7-8H,2-4,6H2;1H.
What are the key properties of 2-(2-aminoethylidene)propane-1,3-diol;hydrochloride?
2-(2-aminoethylidene)propane-1,3-diol;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of -0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylidene)propane-1,3-diol;hydrochloride is sourced from PubChem (CID 173308563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).