N-(dicyanomethyl)formamide

C4H3N3O — CID 18337058

IUPACN-(dicyanomethyl)formamide
SMILESN#CC(C#N)NC=O
InChIInChI=1S/C4H3N3O/c5-1-4(2-6)7-3-8/h3-4H,(H,7,8)
InChIKeyCWXYRPVICSKSLX-UHFFFAOYSA-N
MW109.09 g/mol
LogP-0.85
Rot. Bonds2

About N-(dicyanomethyl)formamide

N-(dicyanomethyl)formamide (PubChem CID 18337058) has the molecular formula C4H3N3O and a molecular weight of 109.09 g/mol. Its IUPAC name is N-(dicyanomethyl)formamide.

Molecular Properties

Compound NameN-(dicyanomethyl)formamide
PubChem CID18337058
Molecular FormulaC4H3N3O
Molecular Weight109.09 g/mol
Exact Mass109.03
IUPAC NameN-(dicyanomethyl)formamide
SMILESN#CC(C#N)NC=O
InChIInChI=1S/C4H3N3O/c5-1-4(2-6)7-3-8/h3-4H,(H,7,8)
InChIKeyCWXYRPVICSKSLX-UHFFFAOYSA-N
XLogP-0.85
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.09
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(dicyanomethyl)formamide?
The IUPAC name of N-(dicyanomethyl)formamide (CID 18337058) is N-(dicyanomethyl)formamide.
What is the SMILES notation for N-(dicyanomethyl)formamide?
The canonical SMILES for N-(dicyanomethyl)formamide is N#CC(C#N)NC=O.
What is the InChIKey of N-(dicyanomethyl)formamide?
The InChIKey is CWXYRPVICSKSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3O/c5-1-4(2-6)7-3-8/h3-4H,(H,7,8).
What are the key properties of N-(dicyanomethyl)formamide?
N-(dicyanomethyl)formamide has a molecular weight of 109.09 g/mol, XLogP of -0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyanomethyl)formamide is sourced from PubChem (CID 18337058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).