2-(2-hydroxyethylamino)prop-2-en-1-ol

C5H11NO2 — CID 87850735

IUPAC2-(2-hydroxyethylamino)prop-2-en-1-ol
SMILESC=C(CO)NCCO
InChIInChI=1S/C5H11NO2/c1-5(4-8)6-2-3-7/h6-8H,1-4H2
InChIKeyMCGUHCAGEHVXTR-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.93
Rot. Bonds4

About 2-(2-hydroxyethylamino)prop-2-en-1-ol

2-(2-hydroxyethylamino)prop-2-en-1-ol (PubChem CID 87850735) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)prop-2-en-1-ol
PubChem CID87850735
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name2-(2-hydroxyethylamino)prop-2-en-1-ol
SMILESC=C(CO)NCCO
InChIInChI=1S/C5H11NO2/c1-5(4-8)6-2-3-7/h6-8H,1-4H2
InChIKeyMCGUHCAGEHVXTR-UHFFFAOYSA-N
XLogP-0.93
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)prop-2-en-1-ol?
The IUPAC name of 2-(2-hydroxyethylamino)prop-2-en-1-ol (CID 87850735) is 2-(2-hydroxyethylamino)prop-2-en-1-ol.
What is the SMILES notation for 2-(2-hydroxyethylamino)prop-2-en-1-ol?
The canonical SMILES for 2-(2-hydroxyethylamino)prop-2-en-1-ol is C=C(CO)NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)prop-2-en-1-ol?
The InChIKey is MCGUHCAGEHVXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-5(4-8)6-2-3-7/h6-8H,1-4H2.
What are the key properties of 2-(2-hydroxyethylamino)prop-2-en-1-ol?
2-(2-hydroxyethylamino)prop-2-en-1-ol has a molecular weight of 117.15 g/mol, XLogP of -0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)prop-2-en-1-ol is sourced from PubChem (CID 87850735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).