4-cyano-N-(2-methyloxolan-3-yl)benzamide

C13H14N2O2 — CID 82729229

IUPAC4-cyano-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C13H14N2O2/c1-9-12(6-7-17-9)15-13(16)11-4-2-10(8-14)3-5-11/h2-5,9,12H,6-7H2,1H3,(H,15,16)
InChIKeyVFEYYOZRBHVNLN-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.47
Rot. Bonds2

About 4-cyano-N-(2-methyloxolan-3-yl)benzamide

4-cyano-N-(2-methyloxolan-3-yl)benzamide (PubChem CID 82729229) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-cyano-N-(2-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(2-methyloxolan-3-yl)benzamide
PubChem CID82729229
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-cyano-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C13H14N2O2/c1-9-12(6-7-17-9)15-13(16)11-4-2-10(8-14)3-5-11/h2-5,9,12H,6-7H2,1H3,(H,15,16)
InChIKeyVFEYYOZRBHVNLN-UHFFFAOYSA-N
XLogP1.47
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(2-methyloxolan-3-yl)benzamide
CID 82728473
4-(aminomethyl)-N-(2-methyloxolan-3-yl)benzamide
CID 82725520
4-[(2-methyloxolan-3-yl)amino]benzonitrile
CID 82726591
3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide
CID 103872396
N-(2-bromocyclohexyl)-4-cyanobenzamide
CID 114311872
6-chloro-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
CID 82726478
4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 115868342
4-cyano-N-(3,5-dimethylcyclohexyl)benzamide
CID 64724364
N-(2-bromocycloheptyl)-4-cyanobenzamide
CID 113395146
4-cyano-N-(2-propylcyclopropyl)benzamide
CID 103713616
4-cyano-N-(3-methylcyclohexyl)benzamide
CID 43244094
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-cyanobenzamide
CID 24707260

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-methyloxolan-3-yl)benzamide?
The IUPAC name of 4-cyano-N-(2-methyloxolan-3-yl)benzamide (CID 82729229) is 4-cyano-N-(2-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 4-cyano-N-(2-methyloxolan-3-yl)benzamide?
The canonical SMILES for 4-cyano-N-(2-methyloxolan-3-yl)benzamide is CC1OCCC1NC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-(2-methyloxolan-3-yl)benzamide?
The InChIKey is VFEYYOZRBHVNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-12(6-7-17-9)15-13(16)11-4-2-10(8-14)3-5-11/h2-5,9,12H,6-7H2,1H3,(H,15,16).
What are the key properties of 4-cyano-N-(2-methyloxolan-3-yl)benzamide?
4-cyano-N-(2-methyloxolan-3-yl)benzamide has a molecular weight of 230.27 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 82729229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).