3-acetyl-2-butyl-2,5-dihydro-1H-pyridin-6-one

C11H17NO2 — CID 67860019

IUPAC3-acetyl-2-butyl-2,5-dihydro-1H-pyridin-6-one
SMILESCCCCC1NC(=O)CC=C1C(C)=O
InChIInChI=1S/C11H17NO2/c1-3-4-5-10-9(8(2)13)6-7-11(14)12-10/h6,10H,3-5,7H2,1-2H3,(H,12,14)
InChIKeyVXTNAWCXZIVTHJ-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.58
Rot. Bonds4

About 3-acetyl-2-butyl-2,5-dihydro-1H-pyridin-6-one

3-acetyl-2-butyl-2,5-dihydro-1H-pyridin-6-one (PubChem CID 67860019) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-acetyl-2-butyl-2,5-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name3-acetyl-2-butyl-2,5-dihydro-1H-pyridin-6-one
PubChem CID67860019
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-acetyl-2-butyl-2,5-dihydro-1H-pyridin-6-one
SMILESCCCCC1NC(=O)CC=C1C(C)=O
InChIInChI=1S/C11H17NO2/c1-3-4-5-10-9(8(2)13)6-7-11(14)12-10/h6,10H,3-5,7H2,1-2H3,(H,12,14)
InChIKeyVXTNAWCXZIVTHJ-UHFFFAOYSA-N
XLogP1.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-butyl-2,5-dihydro-1H-pyridin-6-one?
The IUPAC name of 3-acetyl-2-butyl-2,5-dihydro-1H-pyridin-6-one (CID 67860019) is 3-acetyl-2-butyl-2,5-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 3-acetyl-2-butyl-2,5-dihydro-1H-pyridin-6-one?
The canonical SMILES for 3-acetyl-2-butyl-2,5-dihydro-1H-pyridin-6-one is CCCCC1NC(=O)CC=C1C(C)=O.
What is the InChIKey of 3-acetyl-2-butyl-2,5-dihydro-1H-pyridin-6-one?
The InChIKey is VXTNAWCXZIVTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-4-5-10-9(8(2)13)6-7-11(14)12-10/h6,10H,3-5,7H2,1-2H3,(H,12,14).
What are the key properties of 3-acetyl-2-butyl-2,5-dihydro-1H-pyridin-6-one?
3-acetyl-2-butyl-2,5-dihydro-1H-pyridin-6-one has a molecular weight of 195.26 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-butyl-2,5-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 67860019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).