2-(buta-2,3-dienylamino)ethanol

C6H11NO — CID 57064146

IUPAC2-(buta-2,3-dienylamino)ethanol
SMILESC=C=CCNCCO
InChIInChI=1S/C6H11NO/c1-2-3-4-7-5-6-8/h3,7-8H,1,4-6H2
InChIKeyORXVVSMGGKIPOO-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.09
Rot. Bonds4

About 2-(buta-2,3-dienylamino)ethanol

2-(buta-2,3-dienylamino)ethanol (PubChem CID 57064146) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-(buta-2,3-dienylamino)ethanol.

Molecular Properties

Compound Name2-(buta-2,3-dienylamino)ethanol
PubChem CID57064146
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-(buta-2,3-dienylamino)ethanol
SMILESC=C=CCNCCO
InChIInChI=1S/C6H11NO/c1-2-3-4-7-5-6-8/h3,7-8H,1,4-6H2
InChIKeyORXVVSMGGKIPOO-UHFFFAOYSA-N
XLogP-0.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.09
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-(buta-2,3-dienylamino)ethanol?
The IUPAC name of 2-(buta-2,3-dienylamino)ethanol (CID 57064146) is 2-(buta-2,3-dienylamino)ethanol.
What is the SMILES notation for 2-(buta-2,3-dienylamino)ethanol?
The canonical SMILES for 2-(buta-2,3-dienylamino)ethanol is C=C=CCNCCO.
What is the InChIKey of 2-(buta-2,3-dienylamino)ethanol?
The InChIKey is ORXVVSMGGKIPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-3-4-7-5-6-8/h3,7-8H,1,4-6H2.
What are the key properties of 2-(buta-2,3-dienylamino)ethanol?
2-(buta-2,3-dienylamino)ethanol has a molecular weight of 113.16 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(buta-2,3-dienylamino)ethanol is sourced from PubChem (CID 57064146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).