N-(2-cyanophenyl)-3-methyloxolane-2-carboxamide

C13H14N2O2 — CID 81468862

IUPACN-(2-cyanophenyl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C13H14N2O2/c1-9-6-7-17-12(9)13(16)15-11-5-3-2-4-10(11)8-14/h2-5,9,12H,6-7H2,1H3,(H,15,16)
InChIKeyXEXUSZNPXJEBQB-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.92
Rot. Bonds2

About N-(2-cyanophenyl)-3-methyloxolane-2-carboxamide

N-(2-cyanophenyl)-3-methyloxolane-2-carboxamide (PubChem CID 81468862) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-methyloxolane-2-carboxamide
PubChem CID81468862
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-(2-cyanophenyl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C13H14N2O2/c1-9-6-7-17-12(9)13(16)15-11-5-3-2-4-10(11)8-14/h2-5,9,12H,6-7H2,1H3,(H,15,16)
InChIKeyXEXUSZNPXJEBQB-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)oxolane-2-carboxamide
CID 2948515
N-(2-bromo-3-pyridinyl)-3-methyloxolane-2-carboxamide
CID 103819174
N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 79005674
4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109150947
4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150350
N-(2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106737104
N-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide
CID 3093789
(2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide
CID 124591887
N-(2-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760486
N-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide
CID 81448599
1-N-(2-cyanophenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109131004
N-(2-cyanophenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178518

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-3-methyloxolane-2-carboxamide (CID 81468862) is N-(2-cyanophenyl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-3-methyloxolane-2-carboxamide is CC1CCOC1C(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-3-methyloxolane-2-carboxamide?
The InChIKey is XEXUSZNPXJEBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-6-7-17-12(9)13(16)15-11-5-3-2-4-10(11)8-14/h2-5,9,12H,6-7H2,1H3,(H,15,16).
What are the key properties of N-(2-cyanophenyl)-3-methyloxolane-2-carboxamide?
N-(2-cyanophenyl)-3-methyloxolane-2-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 81468862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).