2-(ethenylamino)ethanol

C4H9NO — CID 22267084

IUPAC2-(ethenylamino)ethanol
SMILESC=CNCCO
InChIInChI=1S/C4H9NO/c1-2-5-3-4-6/h2,5-6H,1,3-4H2
InChIKeyGORDERUNERXOFV-UHFFFAOYSA-N
MW87.12 g/mol
LogP-0.29
Rot. Bonds3

About 2-(ethenylamino)ethanol

2-(ethenylamino)ethanol (PubChem CID 22267084) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is 2-(ethenylamino)ethanol.

Molecular Properties

Compound Name2-(ethenylamino)ethanol
PubChem CID22267084
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name2-(ethenylamino)ethanol
SMILESC=CNCCO
InChIInChI=1S/C4H9NO/c1-2-5-3-4-6/h2,5-6H,1,3-4H2
InChIKeyGORDERUNERXOFV-UHFFFAOYSA-N
XLogP-0.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethenylamino)ethanol?
The IUPAC name of 2-(ethenylamino)ethanol (CID 22267084) is 2-(ethenylamino)ethanol.
What is the SMILES notation for 2-(ethenylamino)ethanol?
The canonical SMILES for 2-(ethenylamino)ethanol is C=CNCCO.
What is the InChIKey of 2-(ethenylamino)ethanol?
The InChIKey is GORDERUNERXOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-2-5-3-4-6/h2,5-6H,1,3-4H2.
What are the key properties of 2-(ethenylamino)ethanol?
2-(ethenylamino)ethanol has a molecular weight of 87.12 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenylamino)ethanol is sourced from PubChem (CID 22267084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).