4-aminohex-3-en-2-one

C6H11NO — CID 57357968

IUPAC4-aminohex-3-en-2-one
SMILESCCC(N)=CC(C)=O
InChIInChI=1S/C6H11NO/c1-3-6(7)4-5(2)8/h4H,3,7H2,1-2H3
InChIKeyJTJBNFASMDKBCE-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.83
Rot. Bonds2

About 4-aminohex-3-en-2-one

4-aminohex-3-en-2-one (PubChem CID 57357968) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 4-aminohex-3-en-2-one.

Molecular Properties

Compound Name4-aminohex-3-en-2-one
PubChem CID57357968
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name4-aminohex-3-en-2-one
SMILESCCC(N)=CC(C)=O
InChIInChI=1S/C6H11NO/c1-3-6(7)4-5(2)8/h4H,3,7H2,1-2H3
InChIKeyJTJBNFASMDKBCE-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
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 4-aminohex-3-en-2-one?
The IUPAC name of 4-aminohex-3-en-2-one (CID 57357968) is 4-aminohex-3-en-2-one.
What is the SMILES notation for 4-aminohex-3-en-2-one?
The canonical SMILES for 4-aminohex-3-en-2-one is CCC(N)=CC(C)=O.
What is the InChIKey of 4-aminohex-3-en-2-one?
The InChIKey is JTJBNFASMDKBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-6(7)4-5(2)8/h4H,3,7H2,1-2H3.
What are the key properties of 4-aminohex-3-en-2-one?
4-aminohex-3-en-2-one has a molecular weight of 113.16 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminohex-3-en-2-one is sourced from PubChem (CID 57357968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).