1-[[(E)-but-2-en-2-yl]amino]propan-2-ol

C7H15NO — CID 135234065

IUPAC1-[[(E)-but-2-en-2-yl]amino]propan-2-ol
SMILESC/C=C(\C)NCC(C)O
InChIInChI=1S/C7H15NO/c1-4-6(2)8-5-7(3)9/h4,7-9H,5H2,1-3H3/b6-4+
InChIKeyVBHJHVYDJBNKGX-GQCTYLIASA-N
MW129.20 g/mol
LogP0.88
Rot. Bonds3

About 1-[[(E)-but-2-en-2-yl]amino]propan-2-ol

1-[[(E)-but-2-en-2-yl]amino]propan-2-ol (PubChem CID 135234065) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-[[(E)-but-2-en-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[(E)-but-2-en-2-yl]amino]propan-2-ol
PubChem CID135234065
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-[[(E)-but-2-en-2-yl]amino]propan-2-ol
SMILESC/C=C(\C)NCC(C)O
InChIInChI=1S/C7H15NO/c1-4-6(2)8-5-7(3)9/h4,7-9H,5H2,1-3H3/b6-4+
InChIKeyVBHJHVYDJBNKGX-GQCTYLIASA-N
XLogP0.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-but-2-en-2-yl]amino]propan-2-ol?
The IUPAC name of 1-[[(E)-but-2-en-2-yl]amino]propan-2-ol (CID 135234065) is 1-[[(E)-but-2-en-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[(E)-but-2-en-2-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[(E)-but-2-en-2-yl]amino]propan-2-ol is C/C=C(\C)NCC(C)O.
What is the InChIKey of 1-[[(E)-but-2-en-2-yl]amino]propan-2-ol?
The InChIKey is VBHJHVYDJBNKGX-GQCTYLIASA-N. The full InChI is InChI=1S/C7H15NO/c1-4-6(2)8-5-7(3)9/h4,7-9H,5H2,1-3H3/b6-4+.
What are the key properties of 1-[[(E)-but-2-en-2-yl]amino]propan-2-ol?
1-[[(E)-but-2-en-2-yl]amino]propan-2-ol has a molecular weight of 129.20 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-but-2-en-2-yl]amino]propan-2-ol is sourced from PubChem (CID 135234065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).