azidomethyl hydrogen carbonate

C2H3N3O3 — CID 150627591

IUPACazidomethyl hydrogen carbonate
SMILES[N-]=[N+]=NCOC(=O)O
InChIInChI=1S/C2H3N3O3/c3-5-4-1-8-2(6)7/h1H2,(H,6,7)
InChIKeyIXFHBRQOQZRHAR-UHFFFAOYSA-N
MW117.06 g/mol
LogP0.95
Rot. Bonds2

About azidomethyl hydrogen carbonate

azidomethyl hydrogen carbonate (PubChem CID 150627591) has the molecular formula C2H3N3O3 and a molecular weight of 117.06 g/mol. Its IUPAC name is azidomethyl hydrogen carbonate.

Molecular Properties

Compound Nameazidomethyl hydrogen carbonate
PubChem CID150627591
Molecular FormulaC2H3N3O3
Molecular Weight117.06 g/mol
Exact Mass117.02
IUPAC Nameazidomethyl hydrogen carbonate
SMILES[N-]=[N+]=NCOC(=O)O
InChIInChI=1S/C2H3N3O3/c3-5-4-1-8-2(6)7/h1H2,(H,6,7)
InChIKeyIXFHBRQOQZRHAR-UHFFFAOYSA-N
XLogP0.95
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.06
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-(azidomethoxy)-2-hydroxy-3-oxopropanoic acid
CID 126711877
bis(azidomethyl) pentanedioate
CID 118634110
azidomethyl N-aminocarbamate
CID 118181996
azidomethyl 3-methylbutanoate
CID 152605157
azidomethyl 2,3-dihydroxypropanoate
CID 126711905
azido(azidomethoxy)methane
CID 86050261
1,2-bis(azidomethoxy)ethane
CID 118152054
2-azidoethanamine;ethylcarbamic acid
CID 174202846
9-aminononanoic acid;9-azidononanoic acid
CID 159969853
CID 162458828
CID 162458828
2-azido-N-methoxyacetamide
CID 150686867
azidomethyl 3-(azidomethyl)-2-methylbenzoate
CID 174928124

Frequently Asked Questions

What is the IUPAC name of azidomethyl hydrogen carbonate?
The IUPAC name of azidomethyl hydrogen carbonate (CID 150627591) is azidomethyl hydrogen carbonate.
What is the SMILES notation for azidomethyl hydrogen carbonate?
The canonical SMILES for azidomethyl hydrogen carbonate is [N-]=[N+]=NCOC(=O)O.
What is the InChIKey of azidomethyl hydrogen carbonate?
The InChIKey is IXFHBRQOQZRHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3O3/c3-5-4-1-8-2(6)7/h1H2,(H,6,7).
What are the key properties of azidomethyl hydrogen carbonate?
azidomethyl hydrogen carbonate has a molecular weight of 117.06 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azidomethyl hydrogen carbonate is sourced from PubChem (CID 150627591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).