1-(pyridine-3-carbonyl)cyclobutane-1-carbonitrile

C11H10N2O — CID 116921578

IUPAC1-(pyridine-3-carbonyl)cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)c2cccnc2)CCC1
InChIInChI=1S/C11H10N2O/c12-8-11(4-2-5-11)10(14)9-3-1-6-13-7-9/h1,3,6-7H,2,4-5H2
InChIKeyLYNACVVVRYAVEO-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.96
Rot. Bonds2

About 1-(pyridine-3-carbonyl)cyclobutane-1-carbonitrile

1-(pyridine-3-carbonyl)cyclobutane-1-carbonitrile (PubChem CID 116921578) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(pyridine-3-carbonyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(pyridine-3-carbonyl)cyclobutane-1-carbonitrile
PubChem CID116921578
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name1-(pyridine-3-carbonyl)cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)c2cccnc2)CCC1
InChIInChI=1S/C11H10N2O/c12-8-11(4-2-5-11)10(14)9-3-1-6-13-7-9/h1,3,6-7H,2,4-5H2
InChIKeyLYNACVVVRYAVEO-UHFFFAOYSA-N
XLogP1.96
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(pyridine-3-carbonyl)cyclobutane-1-carboxylic acid
CID 116921877
1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 78995084
pyridin-3-yl(spiro[3.3]heptan-2-yl)methanone
CID 164649275
(2R)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 172819902
(4-ethoxyoxan-4-yl)-pyridin-3-ylmethanone
CID 116748823
1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56819704
1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide
CID 115181752
(1-morpholin-4-ylcyclopentyl)-pyridin-3-ylmethanone
CID 79058779
2-[1-(aminomethyl)cyclobutyl]-1-pyridin-3-ylethanone
CID 116599471
1-(4-phenoxybenzoyl)cyclopropane-1-carbonitrile
CID 116920829
CID 157283677
CID 157283677
CID 131854915
CID 131854915

Frequently Asked Questions

What is the IUPAC name of 1-(pyridine-3-carbonyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(pyridine-3-carbonyl)cyclobutane-1-carbonitrile (CID 116921578) is 1-(pyridine-3-carbonyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(pyridine-3-carbonyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(pyridine-3-carbonyl)cyclobutane-1-carbonitrile is N#CC1(C(=O)c2cccnc2)CCC1.
What is the InChIKey of 1-(pyridine-3-carbonyl)cyclobutane-1-carbonitrile?
The InChIKey is LYNACVVVRYAVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c12-8-11(4-2-5-11)10(14)9-3-1-6-13-7-9/h1,3,6-7H,2,4-5H2.
What are the key properties of 1-(pyridine-3-carbonyl)cyclobutane-1-carbonitrile?
1-(pyridine-3-carbonyl)cyclobutane-1-carbonitrile has a molecular weight of 186.21 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridine-3-carbonyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 116921578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).