N-(2-cyanophenyl)oxolane-2-carboxamide

C12H12N2O2 — CID 2948515

IUPACN-(2-cyanophenyl)oxolane-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1CCCO1
InChIInChI=1S/C12H12N2O2/c13-8-9-4-1-2-5-10(9)14-12(15)11-6-3-7-16-11/h1-2,4-5,11H,3,6-7H2,(H,14,15)
InChIKeyIWLXGMIZDLRQFK-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.68
Rot. Bonds2

About N-(2-cyanophenyl)oxolane-2-carboxamide

N-(2-cyanophenyl)oxolane-2-carboxamide (PubChem CID 2948515) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is N-(2-cyanophenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)oxolane-2-carboxamide
PubChem CID2948515
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC NameN-(2-cyanophenyl)oxolane-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1CCCO1
InChIInChI=1S/C12H12N2O2/c13-8-9-4-1-2-5-10(9)14-12(15)11-6-3-7-16-11/h1-2,4-5,11H,3,6-7H2,(H,14,15)
InChIKeyIWLXGMIZDLRQFK-UHFFFAOYSA-N
XLogP1.68
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-cyanoanilino)phenyl]oxolane-2-carboxamide
CID 112989824
(2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide
CID 126837214
N-(2-nitrophenyl)oxolane-2-carboxamide
CID 5093204
N-(2-cyano-3-fluorophenyl)oxolane-2-carboxamide
CID 43580330
N-(2-phenylphenyl)oxolane-2-carboxamide
CID 2995133
2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid
CID 104855642
N-(2-cyanophenyl)-3-methyloxolane-2-carboxamide
CID 81468862
(2S)-N-(3-cyanothiophen-2-yl)oxolane-2-carboxamide
CID 41427173
(2S)-N-(2-propan-2-ylphenyl)oxolane-2-carboxamide
CID 40532664
N-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide
CID 82034964
N-phenyloxolane-2-carboxamide
CID 3453643
N-(2-bromophenyl)oxane-2-carboxamide
CID 62214619

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)oxolane-2-carboxamide?
The IUPAC name of N-(2-cyanophenyl)oxolane-2-carboxamide (CID 2948515) is N-(2-cyanophenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)oxolane-2-carboxamide is N#Cc1ccccc1NC(=O)C1CCCO1.
What is the InChIKey of N-(2-cyanophenyl)oxolane-2-carboxamide?
The InChIKey is IWLXGMIZDLRQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-8-9-4-1-2-5-10(9)14-12(15)11-6-3-7-16-11/h1-2,4-5,11H,3,6-7H2,(H,14,15).
What are the key properties of N-(2-cyanophenyl)oxolane-2-carboxamide?
N-(2-cyanophenyl)oxolane-2-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)oxolane-2-carboxamide is sourced from PubChem (CID 2948515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).