3-(prop-2-ynylamino)prop-1-en-2-ol

C6H9NO — CID 88654951

IUPAC3-(prop-2-ynylamino)prop-1-en-2-ol
SMILESC#CCNCC(=C)O
InChIInChI=1S/C6H9NO/c1-3-4-7-5-6(2)8/h1,7-8H,2,4-5H2
InChIKeyMTAREXKEIQZDRU-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.28
Rot. Bonds3

About 3-(prop-2-ynylamino)prop-1-en-2-ol

3-(prop-2-ynylamino)prop-1-en-2-ol (PubChem CID 88654951) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 3-(prop-2-ynylamino)prop-1-en-2-ol.

Molecular Properties

Compound Name3-(prop-2-ynylamino)prop-1-en-2-ol
PubChem CID88654951
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name3-(prop-2-ynylamino)prop-1-en-2-ol
SMILESC#CCNCC(=C)O
InChIInChI=1S/C6H9NO/c1-3-4-7-5-6(2)8/h1,7-8H,2,4-5H2
InChIKeyMTAREXKEIQZDRU-UHFFFAOYSA-N
XLogP0.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(prop-2-ynylamino)prop-1-en-2-ol 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 3-(prop-2-ynylamino)prop-1-en-2-ol?
The IUPAC name of 3-(prop-2-ynylamino)prop-1-en-2-ol (CID 88654951) is 3-(prop-2-ynylamino)prop-1-en-2-ol.
What is the SMILES notation for 3-(prop-2-ynylamino)prop-1-en-2-ol?
The canonical SMILES for 3-(prop-2-ynylamino)prop-1-en-2-ol is C#CCNCC(=C)O.
What is the InChIKey of 3-(prop-2-ynylamino)prop-1-en-2-ol?
The InChIKey is MTAREXKEIQZDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-3-4-7-5-6(2)8/h1,7-8H,2,4-5H2.
What are the key properties of 3-(prop-2-ynylamino)prop-1-en-2-ol?
3-(prop-2-ynylamino)prop-1-en-2-ol has a molecular weight of 111.14 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-ynylamino)prop-1-en-2-ol is sourced from PubChem (CID 88654951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).