2-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylbutanenitrile

C15H24N2O — CID 114460062

IUPAC2-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylbutanenitrile
SMILESCCC(C)(C#N)C(=O)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C15H24N2O/c1-6-15(5,11-16)13(18)17-9-7-12(8-10-17)14(2,3)4/h7H,6,8-10H2,1-5H3
InChIKeyRDSLCUJDWGTJBO-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.13
Rot. Bonds2

About 2-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylbutanenitrile

2-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylbutanenitrile (PubChem CID 114460062) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylbutanenitrile
PubChem CID114460062
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylbutanenitrile
SMILESCCC(C)(C#N)C(=O)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C15H24N2O/c1-6-15(5,11-16)13(18)17-9-7-12(8-10-17)14(2,3)4/h7H,6,8-10H2,1-5H3
InChIKeyRDSLCUJDWGTJBO-UHFFFAOYSA-N
XLogP3.13
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.13
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

1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4,4,4-trifluorobutan-1-one
CID 121450225
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(1-fluorocyclopropyl)methanone
CID 169958470
1-(4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-(trifluoromethyl)cyclopropane-1-carbonitrile
CID 176830200
1-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-(trifluoromethyl)cyclopropane-1-carbonitrile
CID 177162161
2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pentanenitrile
CID 113591657
2-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]butanenitrile
CID 114489949
2-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]butanenitrile
CID 114489950
2-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pentanenitrile
CID 114489953
1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile
CID 115772198
3-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile
CID 115772217
1-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carbonitrile
CID 132970380
1-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylcyclopropane-1-carbonitrile
CID 167975837

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylbutanenitrile?
The IUPAC name of 2-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylbutanenitrile (CID 114460062) is 2-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylbutanenitrile.
What is the SMILES notation for 2-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylbutanenitrile?
The canonical SMILES for 2-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylbutanenitrile is CCC(C)(C#N)C(=O)N1CC=C(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylbutanenitrile?
The InChIKey is RDSLCUJDWGTJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-6-15(5,11-16)13(18)17-9-7-12(8-10-17)14(2,3)4/h7H,6,8-10H2,1-5H3.
What are the key properties of 2-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylbutanenitrile?
2-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylbutanenitrile has a molecular weight of 248.37 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylbutanenitrile is sourced from PubChem (CID 114460062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).