N-oxidocyclopropanecarboxamide

C4H6NO2- — CID 15413548

IUPACN-oxidocyclopropanecarboxamide
SMILESO=C(N[O-])C1CC1
InChIInChI=1S/C4H6NO2/c6-4(5-7)3-1-2-3/h3H,1-2H2,(H-,5,6,7)/q-1
InChIKeyIXLXQJFLCVXUML-UHFFFAOYSA-N
MW100.10 g/mol
LogP0.01
Rot. Bonds1

About N-oxidocyclopropanecarboxamide

N-oxidocyclopropanecarboxamide (PubChem CID 15413548) has the molecular formula C4H6NO2- and a molecular weight of 100.10 g/mol. Its IUPAC name is N-oxidocyclopropanecarboxamide.

Molecular Properties

Compound NameN-oxidocyclopropanecarboxamide
PubChem CID15413548
Molecular FormulaC4H6NO2-
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC NameN-oxidocyclopropanecarboxamide
SMILESO=C(N[O-])C1CC1
InChIInChI=1S/C4H6NO2/c6-4(5-7)3-1-2-3/h3H,1-2H2,(H-,5,6,7)/q-1
InChIKeyIXLXQJFLCVXUML-UHFFFAOYSA-N
XLogP0.01
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-sulfanylcyclopropanecarboxamide
CID 123413903
2-(cyclopropanecarbonylamino)acetate
CID 6997226
N'-acetylcyclopropanecarbohydrazide
CID 118429111
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
trisodium;cyclopropanecarboxylate
CID 141381064
4-N-methylcyclohexane-1,4-dicarboxamide
CID 131039944
N-cyclopent-3-en-1-ylcyclopropanecarboxamide
CID 115696635
N-[amino(sulfanyl)methyl]cyclopropanecarboxamide
CID 89065583
N-(2,4-dimethylpentan-3-yl)cyclopropanecarboxamide
CID 100609902
N-(1-methylcyclopropyl)cyclopropanecarboxamide
CID 115634337
N'-hydroxycyclohexanecarbohydrazide
CID 151692012
N,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine
CID 145422265

Frequently Asked Questions

What is the IUPAC name of N-oxidocyclopropanecarboxamide?
The IUPAC name of N-oxidocyclopropanecarboxamide (CID 15413548) is N-oxidocyclopropanecarboxamide.
What is the SMILES notation for N-oxidocyclopropanecarboxamide?
The canonical SMILES for N-oxidocyclopropanecarboxamide is O=C(N[O-])C1CC1.
What is the InChIKey of N-oxidocyclopropanecarboxamide?
The InChIKey is IXLXQJFLCVXUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6NO2/c6-4(5-7)3-1-2-3/h3H,1-2H2,(H-,5,6,7)/q-1.
What are the key properties of N-oxidocyclopropanecarboxamide?
N-oxidocyclopropanecarboxamide has a molecular weight of 100.10 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxidocyclopropanecarboxamide is sourced from PubChem (CID 15413548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).