(1Z)-N-nitroethanimidate

C2H3N2O3- — CID 22649980

IUPAC(1Z)-N-nitroethanimidate
SMILESC/C([O-])=N/[N+](=O)[O-]
InChIInChI=1S/C2H4N2O3/c1-2(5)3-4(6)7/h1H3,(H,3,5)/p-1
InChIKeyXVTVJNXKVZQUSM-UHFFFAOYSA-M
MW103.06 g/mol
LogP-1.04
Rot. Bonds1

About (1Z)-N-nitroethanimidate

(1Z)-N-nitroethanimidate (PubChem CID 22649980) has the molecular formula C2H3N2O3- and a molecular weight of 103.06 g/mol. Its IUPAC name is (1Z)-N-nitroethanimidate.

Molecular Properties

Compound Name(1Z)-N-nitroethanimidate
PubChem CID22649980
Molecular FormulaC2H3N2O3-
Molecular Weight103.06 g/mol
Exact Mass103.01
IUPAC Name(1Z)-N-nitroethanimidate
SMILESC/C([O-])=N/[N+](=O)[O-]
InChIInChI=1S/C2H4N2O3/c1-2(5)3-4(6)7/h1H3,(H,3,5)/p-1
InChIKeyXVTVJNXKVZQUSM-UHFFFAOYSA-M
XLogP-1.04
TPSA78.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.06
LogP ≤ 5-1.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-nitroethanimidamide
CID 90887679
calcium;acetate;nitrate
CID 175242971
bis(cerium(3+));acetate;nitrate
CID 22023657
nitric acid;bis(ruthenium(3+));hexaacetate
CID 172717903
azanium;sodium;acetate;nitrate
CID 141287882
methyl N-methyl-N'-nitrocarbamimidate
CID 135581711
methyl N-acetyl-N-methyl-N'-nitrocarbamimidothioate
CID 22119468
1-amino-3-methyl-2-nitroguanidine
CID 175201696
methyl N,N-dimethyl-N'-nitrocarbamimidothioate
CID 73470834
potassium;sodium;acetate;nitrate;trihydrate
CID 171618284
hydrazine;silver;acetate;nitrate
CID 175333281
N,2,2,2-tetranitroethanimidic acid
CID 137203255

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-nitroethanimidate?
The IUPAC name of (1Z)-N-nitroethanimidate (CID 22649980) is (1Z)-N-nitroethanimidate.
What is the SMILES notation for (1Z)-N-nitroethanimidate?
The canonical SMILES for (1Z)-N-nitroethanimidate is C/C([O-])=N/[N+](=O)[O-].
What is the InChIKey of (1Z)-N-nitroethanimidate?
The InChIKey is XVTVJNXKVZQUSM-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4N2O3/c1-2(5)3-4(6)7/h1H3,(H,3,5)/p-1.
What are the key properties of (1Z)-N-nitroethanimidate?
(1Z)-N-nitroethanimidate has a molecular weight of 103.06 g/mol, XLogP of -1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-nitroethanimidate is sourced from PubChem (CID 22649980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).