N-(1-cyanoethyl)formamide

C4H6N2O — CID 3015373

IUPACN-(1-cyanoethyl)formamide
SMILESCC(C#N)NC=O
InChIInChI=1S/C4H6N2O/c1-4(2-5)6-3-7/h3-4H,1H3,(H,6,7)
InChIKeyONONIESHMTZAKB-UHFFFAOYSA-N
MW98.10 g/mol
LogP-0.36
Rot. Bonds2

About N-(1-cyanoethyl)formamide

N-(1-cyanoethyl)formamide (PubChem CID 3015373) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is N-(1-cyanoethyl)formamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)formamide
PubChem CID3015373
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC NameN-(1-cyanoethyl)formamide
SMILESCC(C#N)NC=O
InChIInChI=1S/C4H6N2O/c1-4(2-5)6-3-7/h3-4H,1H3,(H,6,7)
InChIKeyONONIESHMTZAKB-UHFFFAOYSA-N
XLogP-0.36
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1-cyanoethyl)formamide?
The IUPAC name of N-(1-cyanoethyl)formamide (CID 3015373) is N-(1-cyanoethyl)formamide.
What is the SMILES notation for N-(1-cyanoethyl)formamide?
The canonical SMILES for N-(1-cyanoethyl)formamide is CC(C#N)NC=O.
What is the InChIKey of N-(1-cyanoethyl)formamide?
The InChIKey is ONONIESHMTZAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O/c1-4(2-5)6-3-7/h3-4H,1H3,(H,6,7).
What are the key properties of N-(1-cyanoethyl)formamide?
N-(1-cyanoethyl)formamide has a molecular weight of 98.10 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)formamide is sourced from PubChem (CID 3015373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).