(2-cyanopropan-2-yldiazenyl) ethyl carbonate

C7H11N3O3 — CID 87755922

IUPAC(2-cyanopropan-2-yldiazenyl) ethyl carbonate
SMILESCCOC(=O)O/N=N/C(C)(C)C#N
InChIInChI=1S/C7H11N3O3/c1-4-12-6(11)13-10-9-7(2,3)5-8/h4H2,1-3H3/b10-9+
InChIKeyFKCBSHQTVKZDKN-MDZDMXLPSA-N
MW185.18 g/mol
LogP1.83
Rot. Bonds3

About (2-cyanopropan-2-yldiazenyl) ethyl carbonate

(2-cyanopropan-2-yldiazenyl) ethyl carbonate (PubChem CID 87755922) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is (2-cyanopropan-2-yldiazenyl) ethyl carbonate.

Molecular Properties

Compound Name(2-cyanopropan-2-yldiazenyl) ethyl carbonate
PubChem CID87755922
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name(2-cyanopropan-2-yldiazenyl) ethyl carbonate
SMILESCCOC(=O)O/N=N/C(C)(C)C#N
InChIInChI=1S/C7H11N3O3/c1-4-12-6(11)13-10-9-7(2,3)5-8/h4H2,1-3H3/b10-9+
InChIKeyFKCBSHQTVKZDKN-MDZDMXLPSA-N
XLogP1.83
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 175796855
CID 175796855
(7-ethoxycarbonylperoxy-2,7-dimethylocta-3,5-diyn-2-yl)oxy ethyl carbonate
CID 18939211
N-butyl-2-[[1-(butylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide;2-cyanopropan-2-yliminourea
CID 87746136
benzoyl benzenecarboperoxoate;2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile
CID 18407465
acetonitrile;2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile
CID 160646643
magnesium;diethyl carbonate;hydride
CID 173249173
acetylene;diethyl carbonate
CID 87073597
diethyl (2S,3R)-2-cyano-3-hydroxy-2-methylbutanedioate
CID 101049290
2-(cyanomethyl)prop-2-enyl ethyl carbonate
CID 13350798
ethyl (Z)-3-amino-2-cyano-3-ethoxyprop-2-enoate
CID 14173175
[(1S)-1-cyano-3-methylbutyl] ethyl carbonate
CID 102577018
ethyl 2-cyano-3-fluoro-2-hydroxy-3-methylpentanoate
CID 15648554

Frequently Asked Questions

What is the IUPAC name of (2-cyanopropan-2-yldiazenyl) ethyl carbonate?
The IUPAC name of (2-cyanopropan-2-yldiazenyl) ethyl carbonate (CID 87755922) is (2-cyanopropan-2-yldiazenyl) ethyl carbonate.
What is the SMILES notation for (2-cyanopropan-2-yldiazenyl) ethyl carbonate?
The canonical SMILES for (2-cyanopropan-2-yldiazenyl) ethyl carbonate is CCOC(=O)O/N=N/C(C)(C)C#N.
What is the InChIKey of (2-cyanopropan-2-yldiazenyl) ethyl carbonate?
The InChIKey is FKCBSHQTVKZDKN-MDZDMXLPSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-4-12-6(11)13-10-9-7(2,3)5-8/h4H2,1-3H3/b10-9+.
What are the key properties of (2-cyanopropan-2-yldiazenyl) ethyl carbonate?
(2-cyanopropan-2-yldiazenyl) ethyl carbonate has a molecular weight of 185.18 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanopropan-2-yldiazenyl) ethyl carbonate is sourced from PubChem (CID 87755922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).