2-[[(Z)-but-1-enyl]amino]ethanol

C6H13NO — CID 143945039

IUPAC2-[[(Z)-but-1-enyl]amino]ethanol
SMILESCC/C=C\NCCO
InChIInChI=1S/C6H13NO/c1-2-3-4-7-5-6-8/h3-4,7-8H,2,5-6H2,1H3/b4-3-
InChIKeyQHBMHFUPJMJQNW-ARJAWSKDSA-N
MW115.18 g/mol
LogP0.49
Rot. Bonds4

About 2-[[(Z)-but-1-enyl]amino]ethanol

2-[[(Z)-but-1-enyl]amino]ethanol (PubChem CID 143945039) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-[[(Z)-but-1-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(Z)-but-1-enyl]amino]ethanol
PubChem CID143945039
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-[[(Z)-but-1-enyl]amino]ethanol
SMILESCC/C=C\NCCO
InChIInChI=1S/C6H13NO/c1-2-3-4-7-5-6-8/h3-4,7-8H,2,5-6H2,1H3/b4-3-
InChIKeyQHBMHFUPJMJQNW-ARJAWSKDSA-N
XLogP0.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.49
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-[[(Z)-but-1-enyl]amino]ethanol?
The IUPAC name of 2-[[(Z)-but-1-enyl]amino]ethanol (CID 143945039) is 2-[[(Z)-but-1-enyl]amino]ethanol.
What is the SMILES notation for 2-[[(Z)-but-1-enyl]amino]ethanol?
The canonical SMILES for 2-[[(Z)-but-1-enyl]amino]ethanol is CC/C=C\NCCO.
What is the InChIKey of 2-[[(Z)-but-1-enyl]amino]ethanol?
The InChIKey is QHBMHFUPJMJQNW-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H13NO/c1-2-3-4-7-5-6-8/h3-4,7-8H,2,5-6H2,1H3/b4-3-.
What are the key properties of 2-[[(Z)-but-1-enyl]amino]ethanol?
2-[[(Z)-but-1-enyl]amino]ethanol has a molecular weight of 115.18 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-but-1-enyl]amino]ethanol is sourced from PubChem (CID 143945039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).