1-(methylamino)pent-3-en-2-one;xenon;hydrofluoride

C6H12FNOXe — CID 172819969

IUPAC1-(methylamino)pent-3-en-2-one;xenon;hydrofluoride
SMILESCC=CC(=O)CNC.F.[Xe]
InChIInChI=1S/C6H11NO.FH.Xe/c1-3-4-6(8)5-7-2;;/h3-4,7H,5H2,1-2H3;1H;
InChIKeyUCCYMXMUDMWZTG-UHFFFAOYSA-N
MW264.46 g/mol
LogP0.50
Rot. Bonds3

About 1-(methylamino)pent-3-en-2-one;xenon;hydrofluoride

1-(methylamino)pent-3-en-2-one;xenon;hydrofluoride (PubChem CID 172819969) has the molecular formula C6H12FNOXe and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-(methylamino)pent-3-en-2-one;xenon;hydrofluoride.

Molecular Properties

Compound Name1-(methylamino)pent-3-en-2-one;xenon;hydrofluoride
PubChem CID172819969
Molecular FormulaC6H12FNOXe
Molecular Weight264.46 g/mol
Exact Mass264.99
IUPAC Name1-(methylamino)pent-3-en-2-one;xenon;hydrofluoride
SMILESCC=CC(=O)CNC.F.[Xe]
InChIInChI=1S/C6H11NO.FH.Xe/c1-3-4-6(8)5-7-2;;/h3-4,7H,5H2,1-2H3;1H;
InChIKeyUCCYMXMUDMWZTG-UHFFFAOYSA-N
XLogP0.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 50.50
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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Related Compounds

(E)-1-(propylamino)pent-3-en-2-one
CID 130176431
1-aminopent-3-en-2-one;tetrahydrofluoride
CID 173491029
1-(butylamino)pent-3-en-2-one;nickel
CID 161234622
1-(methylaminomethylamino)hex-3-ene-2,5-dione
CID 58843321
(Z)-1-aminopent-3-en-2-one
CID 143495154
oct-6-ene-3,5-dione
CID 54438744
(Z)-N-methyl-2-methyliminopent-3-en-1-amine
CID 143155280
(Z)-1-aminopent-3-en-2-one;ethane
CID 143495153
6-methylhept-2-en-4-one
CID 54395514
(E)-4-oxohept-5-enoic acid
CID 58441679
hepta-2,5-dien-4-one
CID 54179619
(E)-1-dimethylphosphorylpent-3-en-2-one
CID 89316968

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)pent-3-en-2-one;xenon;hydrofluoride?
The IUPAC name of 1-(methylamino)pent-3-en-2-one;xenon;hydrofluoride (CID 172819969) is 1-(methylamino)pent-3-en-2-one;xenon;hydrofluoride.
What is the SMILES notation for 1-(methylamino)pent-3-en-2-one;xenon;hydrofluoride?
The canonical SMILES for 1-(methylamino)pent-3-en-2-one;xenon;hydrofluoride is CC=CC(=O)CNC.F.[Xe].
What is the InChIKey of 1-(methylamino)pent-3-en-2-one;xenon;hydrofluoride?
The InChIKey is UCCYMXMUDMWZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.FH.Xe/c1-3-4-6(8)5-7-2;;/h3-4,7H,5H2,1-2H3;1H;.
What are the key properties of 1-(methylamino)pent-3-en-2-one;xenon;hydrofluoride?
1-(methylamino)pent-3-en-2-one;xenon;hydrofluoride has a molecular weight of 264.46 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)pent-3-en-2-one;xenon;hydrofluoride is sourced from PubChem (CID 172819969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).