N-carbamoyliminoacetamide

C3H5N3O2 — CID 21045232

IUPACN-carbamoyliminoacetamide
SMILESCC(=O)/N=N/C(N)=O
InChIInChI=1S/C3H5N3O2/c1-2(7)5-6-3(4)8/h1H3,(H2,4,8)/b6-5+
InChIKeyOSCWFZBWOJKTOG-AATRIKPKSA-N
MW115.09 g/mol
LogP0.06
Rot. Bonds

About N-carbamoyliminoacetamide

N-carbamoyliminoacetamide (PubChem CID 21045232) has the molecular formula C3H5N3O2 and a molecular weight of 115.09 g/mol. Its IUPAC name is N-carbamoyliminoacetamide.

Molecular Properties

Compound NameN-carbamoyliminoacetamide
PubChem CID21045232
Molecular FormulaC3H5N3O2
Molecular Weight115.09 g/mol
Exact Mass115.04
IUPAC NameN-carbamoyliminoacetamide
SMILESCC(=O)/N=N/C(N)=O
InChIInChI=1S/C3H5N3O2/c1-2(7)5-6-3(4)8/h1H3,(H2,4,8)/b6-5+
InChIKeyOSCWFZBWOJKTOG-AATRIKPKSA-N
XLogP0.06
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyliminoacetamide?
The IUPAC name of N-carbamoyliminoacetamide (CID 21045232) is N-carbamoyliminoacetamide.
What is the SMILES notation for N-carbamoyliminoacetamide?
The canonical SMILES for N-carbamoyliminoacetamide is CC(=O)/N=N/C(N)=O.
What is the InChIKey of N-carbamoyliminoacetamide?
The InChIKey is OSCWFZBWOJKTOG-AATRIKPKSA-N. The full InChI is InChI=1S/C3H5N3O2/c1-2(7)5-6-3(4)8/h1H3,(H2,4,8)/b6-5+.
What are the key properties of N-carbamoyliminoacetamide?
N-carbamoyliminoacetamide has a molecular weight of 115.09 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyliminoacetamide is sourced from PubChem (CID 21045232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).