N-carbamoyl-N-ethenylformamide

C4H6N2O2 — CID 23373864

IUPACN-carbamoyl-N-ethenylformamide
SMILESC=CN(C=O)C(N)=O
InChIInChI=1S/C4H6N2O2/c1-2-6(3-7)4(5)8/h2-3H,1H2,(H2,5,8)
InChIKeyTVNKXFRJZUCHRC-UHFFFAOYSA-N
MW114.10 g/mol
LogP-0.33
Rot. Bonds2

About N-carbamoyl-N-ethenylformamide

N-carbamoyl-N-ethenylformamide (PubChem CID 23373864) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is N-carbamoyl-N-ethenylformamide.

Molecular Properties

Compound NameN-carbamoyl-N-ethenylformamide
PubChem CID23373864
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC NameN-carbamoyl-N-ethenylformamide
SMILESC=CN(C=O)C(N)=O
InChIInChI=1S/C4H6N2O2/c1-2-6(3-7)4(5)8/h2-3H,1H2,(H2,5,8)
InChIKeyTVNKXFRJZUCHRC-UHFFFAOYSA-N
XLogP-0.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-0.33
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-carbamoyl-N-ethenylformamide?
The IUPAC name of N-carbamoyl-N-ethenylformamide (CID 23373864) is N-carbamoyl-N-ethenylformamide.
What is the SMILES notation for N-carbamoyl-N-ethenylformamide?
The canonical SMILES for N-carbamoyl-N-ethenylformamide is C=CN(C=O)C(N)=O.
What is the InChIKey of N-carbamoyl-N-ethenylformamide?
The InChIKey is TVNKXFRJZUCHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c1-2-6(3-7)4(5)8/h2-3H,1H2,(H2,5,8).
What are the key properties of N-carbamoyl-N-ethenylformamide?
N-carbamoyl-N-ethenylformamide has a molecular weight of 114.10 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-N-ethenylformamide is sourced from PubChem (CID 23373864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).