2-cyano-2-diazo-N-propan-2-ylacetamide

C6H8N4O — CID 123578958

IUPAC2-cyano-2-diazo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(C#N)=[N+]=[N-]
InChIInChI=1S/C6H8N4O/c1-4(2)9-6(11)5(3-7)10-8/h4H,1-2H3,(H,9,11)
InChIKeyIARWIQKMQMCCBV-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.29
Rot. Bonds2

About 2-cyano-2-diazo-N-propan-2-ylacetamide

2-cyano-2-diazo-N-propan-2-ylacetamide (PubChem CID 123578958) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 2-cyano-2-diazo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-cyano-2-diazo-N-propan-2-ylacetamide
PubChem CID123578958
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name2-cyano-2-diazo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(C#N)=[N+]=[N-]
InChIInChI=1S/C6H8N4O/c1-4(2)9-6(11)5(3-7)10-8/h4H,1-2H3,(H,9,11)
InChIKeyIARWIQKMQMCCBV-UHFFFAOYSA-N
XLogP-0.29
TPSA89.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-cyano-N-propan-2-ylformamide
CID 55288029
(E)-2-cyano-3-(dimethylamino)-N-propan-2-ylprop-2-enamide
CID 2799781
2-oxo-2-(propan-2-ylamino)acetic acid
CID 7183008
2-bromo-2-cyano-N-propan-2-ylacetamide
CID 82045516
propan-2-ylcarbamothioic S-acid
CID 13025506
(Z)-2-cyano-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylprop-2-enamide
CID 108829779
1-(2-cyanoethyl)-3-propan-2-ylurea
CID 60971212
(Z)-2-cyano-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
CID 19183690
(3S)-3-amino-2-oxo-N-propan-2-ylbutanamide
CID 142494367
(Z)-2-cyano-3-(dibutylamino)-N-propan-2-ylprop-2-enamide
CID 108829642
2-cyano-N-propan-2-yl-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 76862557
3-cyano-N-propan-2-ylbutanamide
CID 82111212

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-diazo-N-propan-2-ylacetamide?
The IUPAC name of 2-cyano-2-diazo-N-propan-2-ylacetamide (CID 123578958) is 2-cyano-2-diazo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-cyano-2-diazo-N-propan-2-ylacetamide?
The canonical SMILES for 2-cyano-2-diazo-N-propan-2-ylacetamide is CC(C)NC(=O)C(C#N)=[N+]=[N-].
What is the InChIKey of 2-cyano-2-diazo-N-propan-2-ylacetamide?
The InChIKey is IARWIQKMQMCCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-4(2)9-6(11)5(3-7)10-8/h4H,1-2H3,(H,9,11).
What are the key properties of 2-cyano-2-diazo-N-propan-2-ylacetamide?
2-cyano-2-diazo-N-propan-2-ylacetamide has a molecular weight of 152.16 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-diazo-N-propan-2-ylacetamide is sourced from PubChem (CID 123578958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).