N-(cyanomethyl)-N-methylacetamide

C5H8N2O — CID 539036

IUPACN-(cyanomethyl)-N-methylacetamide
SMILESCC(=O)N(C)CC#N
InChIInChI=1S/C5H8N2O/c1-5(8)7(2)4-3-6/h4H2,1-2H3
InChIKeyQITPLPZRGCEKHE-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.01
Rot. Bonds1

About N-(cyanomethyl)-N-methylacetamide

N-(cyanomethyl)-N-methylacetamide (PubChem CID 539036) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is N-(cyanomethyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-methylacetamide
PubChem CID539036
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC NameN-(cyanomethyl)-N-methylacetamide
SMILESCC(=O)N(C)CC#N
InChIInChI=1S/C5H8N2O/c1-5(8)7(2)4-3-6/h4H2,1-2H3
InChIKeyQITPLPZRGCEKHE-UHFFFAOYSA-N
XLogP-0.01
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N,N-Diethylacetamide
CID 12703
2-cyano-N,N-diethylacetamide
CID 3854515
N-Ethyl-N-methylacetamide
CID 13390905
N-(2-cyanoethyl)-N-methylacetamide
CID 1988455
Acetyl-ethyl-dimethylazanium
CID 53998828
N,N-bis(2-cyanoethyl)acetamide
CID 305401
N-(cyanomethyl)-N-ethyl-2,2-difluoroacetamide
CID 103513745
Formamide, cyano-N,N-bis(1-methylethyl)-
CID 566142
N,N-bis(2-cyanoethyl)propanamide
CID 4629400
Carbonocyanidic amide, diethyl-
CID 11434947
N,N-Diethyl-2-isocyanoacetamide
CID 12179642
N-(Chloromethyl)-N-(cyanomethyl)acetamide
CID 13254816

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-methylacetamide?
The IUPAC name of N-(cyanomethyl)-N-methylacetamide (CID 539036) is N-(cyanomethyl)-N-methylacetamide.
What is the SMILES notation for N-(cyanomethyl)-N-methylacetamide?
The canonical SMILES for N-(cyanomethyl)-N-methylacetamide is CC(=O)N(C)CC#N.
What is the InChIKey of N-(cyanomethyl)-N-methylacetamide?
The InChIKey is QITPLPZRGCEKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-5(8)7(2)4-3-6/h4H2,1-2H3.
What are the key properties of N-(cyanomethyl)-N-methylacetamide?
N-(cyanomethyl)-N-methylacetamide has a molecular weight of 112.13 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-methylacetamide is sourced from PubChem (CID 539036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).