6-methyl-2-oxo-4-propyl-3,4-dihydro-1H-pyridine-5-carbonitrile

C10H14N2O — CID 130019803

IUPAC6-methyl-2-oxo-4-propyl-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCCCC1CC(=O)NC(C)=C1C#N
InChIInChI=1S/C10H14N2O/c1-3-4-8-5-10(13)12-7(2)9(8)6-11/h8H,3-5H2,1-2H3,(H,12,13)
InChIKeyVLBLELLRMGQJGU-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.72
Rot. Bonds2

About 6-methyl-2-oxo-4-propyl-3,4-dihydro-1H-pyridine-5-carbonitrile

6-methyl-2-oxo-4-propyl-3,4-dihydro-1H-pyridine-5-carbonitrile (PubChem CID 130019803) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 6-methyl-2-oxo-4-propyl-3,4-dihydro-1H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-oxo-4-propyl-3,4-dihydro-1H-pyridine-5-carbonitrile
PubChem CID130019803
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name6-methyl-2-oxo-4-propyl-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCCCC1CC(=O)NC(C)=C1C#N
InChIInChI=1S/C10H14N2O/c1-3-4-8-5-10(13)12-7(2)9(8)6-11/h8H,3-5H2,1-2H3,(H,12,13)
InChIKeyVLBLELLRMGQJGU-UHFFFAOYSA-N
XLogP1.72
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 3630864
azane;carbon dioxide;2-hydroxypentanenitrile;methane;3-propylpyrrolidine-2,5-dione
CID 159261355
5-cyano-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-4-carboxamide
CID 17079488
3-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]pyrrolidine-2,5-dione
CID 154234423
3-hexylpyrrolidine-2,5-dione;hydrochloride
CID 70281671
7-fluoro-4-propyl-3,4-dihydro-1H-quinolin-2-one
CID 105460306
(4S)-5-cyano-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-4-carboxamide
CID 40771868
(4S)-4-propylazetidin-2-one
CID 18603540
(3R,4S)-2,6-dioxo-4-undecylpiperidine-3-carbonitrile
CID 98131483
4-(4-fluorophenyl)-3-propylpiperidine-2,6-dione
CID 79320357
(2R)-4-methyl-6-oxo-2-sulfanyl-2,5-dihydro-1H-pyridine-3-carbonitrile
CID 51703716
(4S)-4-propylazetidin-2-one;hydrochloride
CID 66909952

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-4-propyl-3,4-dihydro-1H-pyridine-5-carbonitrile?
The IUPAC name of 6-methyl-2-oxo-4-propyl-3,4-dihydro-1H-pyridine-5-carbonitrile (CID 130019803) is 6-methyl-2-oxo-4-propyl-3,4-dihydro-1H-pyridine-5-carbonitrile.
What is the SMILES notation for 6-methyl-2-oxo-4-propyl-3,4-dihydro-1H-pyridine-5-carbonitrile?
The canonical SMILES for 6-methyl-2-oxo-4-propyl-3,4-dihydro-1H-pyridine-5-carbonitrile is CCCC1CC(=O)NC(C)=C1C#N.
What is the InChIKey of 6-methyl-2-oxo-4-propyl-3,4-dihydro-1H-pyridine-5-carbonitrile?
The InChIKey is VLBLELLRMGQJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-4-8-5-10(13)12-7(2)9(8)6-11/h8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 6-methyl-2-oxo-4-propyl-3,4-dihydro-1H-pyridine-5-carbonitrile?
6-methyl-2-oxo-4-propyl-3,4-dihydro-1H-pyridine-5-carbonitrile has a molecular weight of 178.23 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-4-propyl-3,4-dihydro-1H-pyridine-5-carbonitrile is sourced from PubChem (CID 130019803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).