(prop-1-enylamino)methanol

C4H9NO — CID 54412228

IUPAC(prop-1-enylamino)methanol
SMILESCC=CNCO
InChIInChI=1S/C4H9NO/c1-2-3-5-4-6/h2-3,5-6H,4H2,1H3
InChIKeyNYNGTVOSIILYRY-UHFFFAOYSA-N
MW87.12 g/mol
LogP0.06
Rot. Bonds2

About (prop-1-enylamino)methanol

(prop-1-enylamino)methanol (PubChem CID 54412228) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is (prop-1-enylamino)methanol.

Molecular Properties

Compound Name(prop-1-enylamino)methanol
PubChem CID54412228
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name(prop-1-enylamino)methanol
SMILESCC=CNCO
InChIInChI=1S/C4H9NO/c1-2-3-5-4-6/h2-3,5-6H,4H2,1H3
InChIKeyNYNGTVOSIILYRY-UHFFFAOYSA-N
XLogP0.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (prop-1-enylamino)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (prop-1-enylamino)methanol?
The IUPAC name of (prop-1-enylamino)methanol (CID 54412228) is (prop-1-enylamino)methanol.
What is the SMILES notation for (prop-1-enylamino)methanol?
The canonical SMILES for (prop-1-enylamino)methanol is CC=CNCO.
What is the InChIKey of (prop-1-enylamino)methanol?
The InChIKey is NYNGTVOSIILYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-2-3-5-4-6/h2-3,5-6H,4H2,1H3.
What are the key properties of (prop-1-enylamino)methanol?
(prop-1-enylamino)methanol has a molecular weight of 87.12 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (prop-1-enylamino)methanol is sourced from PubChem (CID 54412228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).