N-(4-cyanophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C12H10N2O3 — CID 16552510

IUPACN-(4-cyanophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESN#Cc1ccc(NC(=O)C2=COCCO2)cc1
InChIInChI=1S/C12H10N2O3/c13-7-9-1-3-10(4-2-9)14-12(15)11-8-16-5-6-17-11/h1-4,8H,5-6H2,(H,14,15)
InChIKeyJUEKNNQELUXZIU-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.38
Rot. Bonds2

About N-(4-cyanophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(4-cyanophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 16552510) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID16552510
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC NameN-(4-cyanophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESN#Cc1ccc(NC(=O)C2=COCCO2)cc1
InChIInChI=1S/C12H10N2O3/c13-7-9-1-3-10(4-2-9)14-12(15)11-8-16-5-6-17-11/h1-4,8H,5-6H2,(H,14,15)
InChIKeyJUEKNNQELUXZIU-UHFFFAOYSA-N
XLogP1.38
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 16552510) is N-(4-cyanophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is N#Cc1ccc(NC(=O)C2=COCCO2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is JUEKNNQELUXZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c13-7-9-1-3-10(4-2-9)14-12(15)11-8-16-5-6-17-11/h1-4,8H,5-6H2,(H,14,15).
What are the key properties of N-(4-cyanophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(4-cyanophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 230.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 16552510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).