N-(1-cyanoethyl)-2,3-dihydrofuran-5-carboxamide

C8H10N2O2 — CID 130616233

IUPACN-(1-cyanoethyl)-2,3-dihydrofuran-5-carboxamide
SMILESCC(C#N)NC(=O)C1=CCCO1
InChIInChI=1S/C8H10N2O2/c1-6(5-9)10-8(11)7-3-2-4-12-7/h3,6H,2,4H2,1H3,(H,10,11)
InChIKeyNSFIOXPLLJTBKU-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.32
Rot. Bonds2

About N-(1-cyanoethyl)-2,3-dihydrofuran-5-carboxamide

N-(1-cyanoethyl)-2,3-dihydrofuran-5-carboxamide (PubChem CID 130616233) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is N-(1-cyanoethyl)-2,3-dihydrofuran-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-2,3-dihydrofuran-5-carboxamide
PubChem CID130616233
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC NameN-(1-cyanoethyl)-2,3-dihydrofuran-5-carboxamide
SMILESCC(C#N)NC(=O)C1=CCCO1
InChIInChI=1S/C8H10N2O2/c1-6(5-9)10-8(11)7-3-2-4-12-7/h3,6H,2,4H2,1H3,(H,10,11)
InChIKeyNSFIOXPLLJTBKU-UHFFFAOYSA-N
XLogP0.32
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanoethyl)-2,3-dihydrofuran-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-2,3-dihydrofuran-5-carboxamide?
The IUPAC name of N-(1-cyanoethyl)-2,3-dihydrofuran-5-carboxamide (CID 130616233) is N-(1-cyanoethyl)-2,3-dihydrofuran-5-carboxamide.
What is the SMILES notation for N-(1-cyanoethyl)-2,3-dihydrofuran-5-carboxamide?
The canonical SMILES for N-(1-cyanoethyl)-2,3-dihydrofuran-5-carboxamide is CC(C#N)NC(=O)C1=CCCO1.
What is the InChIKey of N-(1-cyanoethyl)-2,3-dihydrofuran-5-carboxamide?
The InChIKey is NSFIOXPLLJTBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6(5-9)10-8(11)7-3-2-4-12-7/h3,6H,2,4H2,1H3,(H,10,11).
What are the key properties of N-(1-cyanoethyl)-2,3-dihydrofuran-5-carboxamide?
N-(1-cyanoethyl)-2,3-dihydrofuran-5-carboxamide has a molecular weight of 166.18 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-2,3-dihydrofuran-5-carboxamide is sourced from PubChem (CID 130616233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).