2-ethylpropanedioyl diazide

C5H6N6O2 — CID 86655983

IUPAC2-ethylpropanedioyl diazide
SMILESCCC(C(=O)N=[N+]=[N-])C(=O)N=[N+]=[N-]
InChIInChI=1S/C5H6N6O2/c1-2-3(4(12)8-10-6)5(13)9-11-7/h3H,2H2,1H3
InChIKeyRGAHCYZBDBBSOH-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.69
Rot. Bonds3

About 2-ethylpropanedioyl diazide

2-ethylpropanedioyl diazide (PubChem CID 86655983) has the molecular formula C5H6N6O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is 2-ethylpropanedioyl diazide.

Molecular Properties

Compound Name2-ethylpropanedioyl diazide
PubChem CID86655983
Molecular FormulaC5H6N6O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name2-ethylpropanedioyl diazide
SMILESCCC(C(=O)N=[N+]=[N-])C(=O)N=[N+]=[N-]
InChIInChI=1S/C5H6N6O2/c1-2-3(4(12)8-10-6)5(13)9-11-7/h3H,2H2,1H3
InChIKeyRGAHCYZBDBBSOH-UHFFFAOYSA-N
XLogP1.69
TPSA131.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-azido-2-ethylbutanoic acid
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2-ethylhexyl N-diazocarbamate
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2-hydroxyheptanedioyl diazide
CID 142790693
acetylene;5-azido-4-methoxy-5-oxopentanoic acid;benzene
CID 142892641
4-azido-2-ethylbutanoic acid
CID 131985963
(2S,3S)-2-azido-3-methylpentanoyl chloride
CID 15953720
3-azido-2-ethylpentanamide
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N-diazocarbamoyl fluoride
CID 71358879
3-azidopentane
CID 19966832

Frequently Asked Questions

What is the IUPAC name of 2-ethylpropanedioyl diazide?
The IUPAC name of 2-ethylpropanedioyl diazide (CID 86655983) is 2-ethylpropanedioyl diazide.
What is the SMILES notation for 2-ethylpropanedioyl diazide?
The canonical SMILES for 2-ethylpropanedioyl diazide is CCC(C(=O)N=[N+]=[N-])C(=O)N=[N+]=[N-].
What is the InChIKey of 2-ethylpropanedioyl diazide?
The InChIKey is RGAHCYZBDBBSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6O2/c1-2-3(4(12)8-10-6)5(13)9-11-7/h3H,2H2,1H3.
What are the key properties of 2-ethylpropanedioyl diazide?
2-ethylpropanedioyl diazide has a molecular weight of 182.14 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpropanedioyl diazide is sourced from PubChem (CID 86655983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).