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

C13H18N2O — CID 115970200

IUPAC1-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile
SMILESN#CC1(C(=O)N2CC=CCC2)CCCCC1
InChIInChI=1S/C13H18N2O/c14-11-13(7-3-1-4-8-13)12(16)15-9-5-2-6-10-15/h2,5H,1,3-4,6-10H2
InChIKeyBPLUOAVXOZSPPR-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.25
Rot. Bonds1

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

1-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile (PubChem CID 115970200) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile
PubChem CID115970200
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile
SMILESN#CC1(C(=O)N2CC=CCC2)CCCCC1
InChIInChI=1S/C13H18N2O/c14-11-13(7-3-1-4-8-13)12(16)15-9-5-2-6-10-15/h2,5H,1,3-4,6-10H2
InChIKeyBPLUOAVXOZSPPR-UHFFFAOYSA-N
XLogP2.25
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.25
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

Cyclohexyl(3,6-dihydro-1(2H)-pyridinyl)methanone
CID 3047538
1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cycloheptane-1-carbonitrile
CID 114489951
1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclohexane-1-carbonitrile
CID 115772155
4-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile
CID 121450249
4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile
CID 121451666
4-(4-iodo-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile
CID 138702272
ethane;4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile
CID 145147990
1-[2-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]cyclohexane-1-carbonitrile
CID 175807715
1-(3-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carbonitrile
CID 175807724
2-cyclohexyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 12760901
3-cyclohexyl-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 12760904
1-cyano-N-(cyclohex-3-en-1-ylmethyl)cyclohexane-1-carboxamide
CID 48874284

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile (CID 115970200) is 1-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile is N#CC1(C(=O)N2CC=CCC2)CCCCC1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile?
The InChIKey is BPLUOAVXOZSPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-11-13(7-3-1-4-8-13)12(16)15-9-5-2-6-10-15/h2,5H,1,3-4,6-10H2.
What are the key properties of 1-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile?
1-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 115970200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).