N-benzyl-2-cyanoacetamide

C10H10N2O — CID 668298

IUPACN-benzyl-2-cyanoacetamide
SMILESN#CCC(=O)NCc1ccccc1
InChIInChI=1S/C10H10N2O/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6,8H2,(H,12,13)
InChIKeyJQVMRGYDSQFFJC-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.22
Rot. Bonds3

About N-benzyl-2-cyanoacetamide

N-benzyl-2-cyanoacetamide (PubChem CID 668298) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is N-benzyl-2-cyanoacetamide.

Molecular Properties

Compound NameN-benzyl-2-cyanoacetamide
PubChem CID668298
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC NameN-benzyl-2-cyanoacetamide
SMILESN#CCC(=O)NCc1ccccc1
InChIInChI=1S/C10H10N2O/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6,8H2,(H,12,13)
InChIKeyJQVMRGYDSQFFJC-UHFFFAOYSA-N
XLogP1.22
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-cyanoacetamide?
The IUPAC name of N-benzyl-2-cyanoacetamide (CID 668298) is N-benzyl-2-cyanoacetamide.
What is the SMILES notation for N-benzyl-2-cyanoacetamide?
The canonical SMILES for N-benzyl-2-cyanoacetamide is N#CCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-cyanoacetamide?
The InChIKey is JQVMRGYDSQFFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6,8H2,(H,12,13).
What are the key properties of N-benzyl-2-cyanoacetamide?
N-benzyl-2-cyanoacetamide has a molecular weight of 174.20 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-cyanoacetamide is sourced from PubChem (CID 668298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).