2-(3,6-dihydro-2H-pyridine-1-carbonyl)-2-propylpentanenitrile

C14H22N2O — CID 114409960

IUPAC2-(3,6-dihydro-2H-pyridine-1-carbonyl)-2-propylpentanenitrile
SMILESCCCC(C#N)(CCC)C(=O)N1CC=CCC1
InChIInChI=1S/C14H22N2O/c1-3-8-14(12-15,9-4-2)13(17)16-10-6-5-7-11-16/h5-6H,3-4,7-11H2,1-2H3
InChIKeyYZUCOACPLWUKIQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.89
Rot. Bonds5

About 2-(3,6-dihydro-2H-pyridine-1-carbonyl)-2-propylpentanenitrile

2-(3,6-dihydro-2H-pyridine-1-carbonyl)-2-propylpentanenitrile (PubChem CID 114409960) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyridine-1-carbonyl)-2-propylpentanenitrile.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyridine-1-carbonyl)-2-propylpentanenitrile
PubChem CID114409960
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(3,6-dihydro-2H-pyridine-1-carbonyl)-2-propylpentanenitrile
SMILESCCCC(C#N)(CCC)C(=O)N1CC=CCC1
InChIInChI=1S/C14H22N2O/c1-3-8-14(12-15,9-4-2)13(17)16-10-6-5-7-11-16/h5-6H,3-4,7-11H2,1-2H3
InChIKeyYZUCOACPLWUKIQ-UHFFFAOYSA-N
XLogP2.89
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-(2-cyanoethyl)-N-(3-methylbutyl)cyclohex-3-ene-1-carboxamide
CID 95330405
2-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pentanenitrile
CID 114489953
3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-oxopropanenitrile
CID 114393288
1-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carbonitrile
CID 115768863
4-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile
CID 121450249
4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-oxobutanenitrile
CID 121450275
4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile
CID 121451666
2-[1-(2,2-dimethylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]butanenitrile
CID 126750179
1-[1-(2,2-dimethylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]cyclopropane-1-carbonitrile
CID 126750312
1-(1-propanoyl-3,6-dihydro-2H-pyridin-4-yl)cyclopropane-1-carbonitrile
CID 126758448
1-(3-Ethyl-1-methylcyclopent-3-ene-1-carbonyl)piperidine-3-carbonitrile
CID 132065028
1-(1-Methylcyclopent-3-ene-1-carbonyl)piperidine-3-carbonitrile
CID 134547135

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyridine-1-carbonyl)-2-propylpentanenitrile?
The IUPAC name of 2-(3,6-dihydro-2H-pyridine-1-carbonyl)-2-propylpentanenitrile (CID 114409960) is 2-(3,6-dihydro-2H-pyridine-1-carbonyl)-2-propylpentanenitrile.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyridine-1-carbonyl)-2-propylpentanenitrile?
The canonical SMILES for 2-(3,6-dihydro-2H-pyridine-1-carbonyl)-2-propylpentanenitrile is CCCC(C#N)(CCC)C(=O)N1CC=CCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyridine-1-carbonyl)-2-propylpentanenitrile?
The InChIKey is YZUCOACPLWUKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-8-14(12-15,9-4-2)13(17)16-10-6-5-7-11-16/h5-6H,3-4,7-11H2,1-2H3.
What are the key properties of 2-(3,6-dihydro-2H-pyridine-1-carbonyl)-2-propylpentanenitrile?
2-(3,6-dihydro-2H-pyridine-1-carbonyl)-2-propylpentanenitrile has a molecular weight of 234.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyridine-1-carbonyl)-2-propylpentanenitrile is sourced from PubChem (CID 114409960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).