(E)-6-aminohex-3-en-2-one

C6H11NO — CID 118271956

IUPAC(E)-6-aminohex-3-en-2-one
SMILESCC(=O)/C=C/CCN
InChIInChI=1S/C6H11NO/c1-6(8)4-2-3-5-7/h2,4H,3,5,7H2,1H3/b4-2+
InChIKeyDBDGJGQJZCGDCU-DUXPYHPUSA-N
MW113.16 g/mol
LogP0.48
Rot. Bonds3

About (E)-6-aminohex-3-en-2-one

(E)-6-aminohex-3-en-2-one (PubChem CID 118271956) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (E)-6-aminohex-3-en-2-one.

Molecular Properties

Compound Name(E)-6-aminohex-3-en-2-one
PubChem CID118271956
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(E)-6-aminohex-3-en-2-one
SMILESCC(=O)/C=C/CCN
InChIInChI=1S/C6H11NO/c1-6(8)4-2-3-5-7/h2,4H,3,5,7H2,1H3/b4-2+
InChIKeyDBDGJGQJZCGDCU-DUXPYHPUSA-N
XLogP0.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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)-6-aminohex-3-en-2-one?
The IUPAC name of (E)-6-aminohex-3-en-2-one (CID 118271956) is (E)-6-aminohex-3-en-2-one.
What is the SMILES notation for (E)-6-aminohex-3-en-2-one?
The canonical SMILES for (E)-6-aminohex-3-en-2-one is CC(=O)/C=C/CCN.
What is the InChIKey of (E)-6-aminohex-3-en-2-one?
The InChIKey is DBDGJGQJZCGDCU-DUXPYHPUSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(8)4-2-3-5-7/h2,4H,3,5,7H2,1H3/b4-2+.
What are the key properties of (E)-6-aminohex-3-en-2-one?
(E)-6-aminohex-3-en-2-one has a molecular weight of 113.16 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-aminohex-3-en-2-one is sourced from PubChem (CID 118271956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).