3-[(E)-4-(methylamino)pent-1-enyl]-1H-pyridin-4-one

C11H16N2O — CID 22144485

IUPAC3-[(E)-4-(methylamino)pent-1-enyl]-1H-pyridin-4-one
SMILESCNC(C)C/C=C/c1c[nH]ccc1=O
InChIInChI=1S/C11H16N2O/c1-9(12-2)4-3-5-10-8-13-7-6-11(10)14/h3,5-9,12H,4H2,1-2H3,(H,13,14)/b5-3+
InChIKeyYNSYDGJJBRDOGI-HWKANZROSA-N
MW192.26 g/mol
LogP1.39
Rot. Bonds4

About 3-[(E)-4-(methylamino)pent-1-enyl]-1H-pyridin-4-one

3-[(E)-4-(methylamino)pent-1-enyl]-1H-pyridin-4-one (PubChem CID 22144485) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-[(E)-4-(methylamino)pent-1-enyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[(E)-4-(methylamino)pent-1-enyl]-1H-pyridin-4-one
PubChem CID22144485
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-[(E)-4-(methylamino)pent-1-enyl]-1H-pyridin-4-one
SMILESCNC(C)C/C=C/c1c[nH]ccc1=O
InChIInChI=1S/C11H16N2O/c1-9(12-2)4-3-5-10-8-13-7-6-11(10)14/h3,5-9,12H,4H2,1-2H3,(H,13,14)/b5-3+
InChIKeyYNSYDGJJBRDOGI-HWKANZROSA-N
XLogP1.39
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-4-(methylamino)pent-1-enyl]-1H-pyridin-4-one?
The IUPAC name of 3-[(E)-4-(methylamino)pent-1-enyl]-1H-pyridin-4-one (CID 22144485) is 3-[(E)-4-(methylamino)pent-1-enyl]-1H-pyridin-4-one.
What is the SMILES notation for 3-[(E)-4-(methylamino)pent-1-enyl]-1H-pyridin-4-one?
The canonical SMILES for 3-[(E)-4-(methylamino)pent-1-enyl]-1H-pyridin-4-one is CNC(C)C/C=C/c1c[nH]ccc1=O.
What is the InChIKey of 3-[(E)-4-(methylamino)pent-1-enyl]-1H-pyridin-4-one?
The InChIKey is YNSYDGJJBRDOGI-HWKANZROSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9(12-2)4-3-5-10-8-13-7-6-11(10)14/h3,5-9,12H,4H2,1-2H3,(H,13,14)/b5-3+.
What are the key properties of 3-[(E)-4-(methylamino)pent-1-enyl]-1H-pyridin-4-one?
3-[(E)-4-(methylamino)pent-1-enyl]-1H-pyridin-4-one has a molecular weight of 192.26 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-4-(methylamino)pent-1-enyl]-1H-pyridin-4-one is sourced from PubChem (CID 22144485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).