1-hydroxyaziridine-2-carboxamide

C3H6N2O2 — CID 58798253

IUPAC1-hydroxyaziridine-2-carboxamide
SMILESNC(=O)C1CN1O
InChIInChI=1S/C3H6N2O2/c4-3(6)2-1-5(2)7/h2,7H,1H2,(H2,4,6)
InChIKeyKQOZIOXXDKJHDP-UHFFFAOYSA-N
MW102.09 g/mol
LogP-1.45
Rot. Bonds1

About 1-hydroxyaziridine-2-carboxamide

1-hydroxyaziridine-2-carboxamide (PubChem CID 58798253) has the molecular formula C3H6N2O2 and a molecular weight of 102.09 g/mol. Its IUPAC name is 1-hydroxyaziridine-2-carboxamide.

Molecular Properties

Compound Name1-hydroxyaziridine-2-carboxamide
PubChem CID58798253
Molecular FormulaC3H6N2O2
Molecular Weight102.09 g/mol
Exact Mass102.04
IUPAC Name1-hydroxyaziridine-2-carboxamide
SMILESNC(=O)C1CN1O
InChIInChI=1S/C3H6N2O2/c4-3(6)2-1-5(2)7/h2,7H,1H2,(H2,4,6)
InChIKeyKQOZIOXXDKJHDP-UHFFFAOYSA-N
XLogP-1.45
TPSA66.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxyaziridine-2-carboxamide?
The IUPAC name of 1-hydroxyaziridine-2-carboxamide (CID 58798253) is 1-hydroxyaziridine-2-carboxamide.
What is the SMILES notation for 1-hydroxyaziridine-2-carboxamide?
The canonical SMILES for 1-hydroxyaziridine-2-carboxamide is NC(=O)C1CN1O.
What is the InChIKey of 1-hydroxyaziridine-2-carboxamide?
The InChIKey is KQOZIOXXDKJHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O2/c4-3(6)2-1-5(2)7/h2,7H,1H2,(H2,4,6).
What are the key properties of 1-hydroxyaziridine-2-carboxamide?
1-hydroxyaziridine-2-carboxamide has a molecular weight of 102.09 g/mol, XLogP of -1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyaziridine-2-carboxamide is sourced from PubChem (CID 58798253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).