CID 162458828

C3H3N3O2 — CID 162458828

IUPAC—
SMILES[CH]OC(=O)CN=[N+]=[N-]
InChIInChI=1S/C3H3N3O2/c1-8-3(7)2-5-6-4/h1H,2H2
InChIKeyNVVSWQRNODDJIM-UHFFFAOYSA-N
MW113.08 g/mol
LogP0.51
Rot. Bonds2

About CID 162458828

CID 162458828 (PubChem CID 162458828) has the molecular formula C3H3N3O2 and a molecular weight of 113.08 g/mol.

Molecular Properties

Compound NameCID 162458828
PubChem CID162458828
Molecular FormulaC3H3N3O2
Molecular Weight113.08 g/mol
Exact Mass113.02
IUPAC Name—
SMILES[CH]OC(=O)CN=[N+]=[N-]
InChIInChI=1S/C3H3N3O2/c1-8-3(7)2-5-6-4/h1H,2H2
InChIKeyNVVSWQRNODDJIM-UHFFFAOYSA-N
XLogP0.51
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.08
LogP ≤ 50.51
H-Bond Donors ≤ 50
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

(deuterioboranylideneamino) 2-azidoacetate
CID 58372950
3-azido-2-oxopropanal
CID 54201527
2-azido-N-methoxyacetamide
CID 150686867
2-azido-N,N-dipropylacetamide
CID 61373828
(4-methoxyphenyl) 2-azidoacetate
CID 154028305
(2,3,5,6-tetrafluorophenyl) 2-azidoacetate
CID 155414947
azidomethyl hydrogen carbonate
CID 150627591
1-azido-3,4,5-trihydroxyhexan-2-one
CID 54515836
3-azidopropanoyl sulfite
CID 174986930
bis(azidomethyl) pentanedioate
CID 118634110
2-azido-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 44508056
CID 11152344
CID 11152344

Frequently Asked Questions

What is the IUPAC name of CID 162458828?
The IUPAC name of CID 162458828 (CID 162458828) is not available.
What is the SMILES notation for CID 162458828?
The canonical SMILES for CID 162458828 is [CH]OC(=O)CN=[N+]=[N-].
What is the InChIKey of CID 162458828?
The InChIKey is NVVSWQRNODDJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O2/c1-8-3(7)2-5-6-4/h1H,2H2.
What are the key properties of CID 162458828?
CID 162458828 has a molecular weight of 113.08 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162458828 is sourced from PubChem (CID 162458828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).