1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile

C14H20N2O — CID 114172324

IUPAC1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile
SMILESCC1=CCCN(C(=O)C2(C#N)CCCCC2)C1
InChIInChI=1S/C14H20N2O/c1-12-6-5-9-16(10-12)13(17)14(11-15)7-3-2-4-8-14/h6H,2-5,7-10H2,1H3
InChIKeyHYLLEQJZAUBWIA-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.64
Rot. Bonds1

About 1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile

1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile (PubChem CID 114172324) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile
PubChem CID114172324
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile
SMILESCC1=CCCN(C(=O)C2(C#N)CCCCC2)C1
InChIInChI=1S/C14H20N2O/c1-12-6-5-9-16(10-12)13(17)14(11-15)7-3-2-4-8-14/h6H,2-5,7-10H2,1H3
InChIKeyHYLLEQJZAUBWIA-UHFFFAOYSA-N
XLogP2.64
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.64
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-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cycloheptane-1-carbonitrile
CID 114489951
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]cyclohexane-1-carbonitrile
CID 115772155
(1R)-1-cyano-2-(cyclohexen-1-yl)-N-methyl-N-propan-2-ylcycloprop-2-ene-1-carboxamide
CID 71243271
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-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-cyclohexylmethanone
CID 121450286
cyclohexyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 121451665
4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile
CID 121451666
1-(3-Ethyl-1-methylcyclopent-3-ene-1-carbonyl)piperidine-3-carbonitrile
CID 132065028
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylcyclohexyl)methanone
CID 134370446

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile (CID 114172324) is 1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile is CC1=CCCN(C(=O)C2(C#N)CCCCC2)C1.
What is the InChIKey of 1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile?
The InChIKey is HYLLEQJZAUBWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12-6-5-9-16(10-12)13(17)14(11-15)7-3-2-4-8-14/h6H,2-5,7-10H2,1H3.
What are the key properties of 1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile?
1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 114172324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).