(E)-5-aminohex-3-en-2-one

C6H11NO — CID 146289767

IUPAC(E)-5-aminohex-3-en-2-one
SMILESCC(=O)/C=C/C(C)N
InChIInChI=1S/C6H11NO/c1-5(7)3-4-6(2)8/h3-5H,7H2,1-2H3/b4-3+
InChIKeyYWVJGSPXATUMSY-ONEGZZNKSA-N
MW113.16 g/mol
LogP0.48
Rot. Bonds2

About (E)-5-aminohex-3-en-2-one

(E)-5-aminohex-3-en-2-one (PubChem CID 146289767) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (E)-5-aminohex-3-en-2-one.

Molecular Properties

Compound Name(E)-5-aminohex-3-en-2-one
PubChem CID146289767
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(E)-5-aminohex-3-en-2-one
SMILESCC(=O)/C=C/C(C)N
InChIInChI=1S/C6H11NO/c1-5(7)3-4-6(2)8/h3-5H,7H2,1-2H3/b4-3+
InChIKeyYWVJGSPXATUMSY-ONEGZZNKSA-N
XLogP0.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-aminohex-3-en-2-one?
The IUPAC name of (E)-5-aminohex-3-en-2-one (CID 146289767) is (E)-5-aminohex-3-en-2-one.
What is the SMILES notation for (E)-5-aminohex-3-en-2-one?
The canonical SMILES for (E)-5-aminohex-3-en-2-one is CC(=O)/C=C/C(C)N.
What is the InChIKey of (E)-5-aminohex-3-en-2-one?
The InChIKey is YWVJGSPXATUMSY-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H11NO/c1-5(7)3-4-6(2)8/h3-5H,7H2,1-2H3/b4-3+.
What are the key properties of (E)-5-aminohex-3-en-2-one?
(E)-5-aminohex-3-en-2-one has a molecular weight of 113.16 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-aminohex-3-en-2-one is sourced from PubChem (CID 146289767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).