(E)-2-(propylamino)prop-1-ene-1,3-diol

C6H13NO2 — CID 166781609

IUPAC(E)-2-(propylamino)prop-1-ene-1,3-diol
SMILESCCCN/C(=C/O)CO
InChIInChI=1S/C6H13NO2/c1-2-3-7-6(4-8)5-9/h4,7-9H,2-3,5H2,1H3/b6-4+
InChIKeyYGJHMWYDMMQCHR-GQCTYLIASA-N
MW131.18 g/mol
LogP0.38
Rot. Bonds4

About (E)-2-(propylamino)prop-1-ene-1,3-diol

(E)-2-(propylamino)prop-1-ene-1,3-diol (PubChem CID 166781609) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (E)-2-(propylamino)prop-1-ene-1,3-diol.

Molecular Properties

Compound Name(E)-2-(propylamino)prop-1-ene-1,3-diol
PubChem CID166781609
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(E)-2-(propylamino)prop-1-ene-1,3-diol
SMILESCCCN/C(=C/O)CO
InChIInChI=1S/C6H13NO2/c1-2-3-7-6(4-8)5-9/h4,7-9H,2-3,5H2,1H3/b6-4+
InChIKeyYGJHMWYDMMQCHR-GQCTYLIASA-N
XLogP0.38
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(propylamino)prop-1-ene-1,3-diol?
The IUPAC name of (E)-2-(propylamino)prop-1-ene-1,3-diol (CID 166781609) is (E)-2-(propylamino)prop-1-ene-1,3-diol.
What is the SMILES notation for (E)-2-(propylamino)prop-1-ene-1,3-diol?
The canonical SMILES for (E)-2-(propylamino)prop-1-ene-1,3-diol is CCCN/C(=C/O)CO.
What is the InChIKey of (E)-2-(propylamino)prop-1-ene-1,3-diol?
The InChIKey is YGJHMWYDMMQCHR-GQCTYLIASA-N. The full InChI is InChI=1S/C6H13NO2/c1-2-3-7-6(4-8)5-9/h4,7-9H,2-3,5H2,1H3/b6-4+.
What are the key properties of (E)-2-(propylamino)prop-1-ene-1,3-diol?
(E)-2-(propylamino)prop-1-ene-1,3-diol has a molecular weight of 131.18 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(propylamino)prop-1-ene-1,3-diol is sourced from PubChem (CID 166781609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).