N-[(2-cyano-2-methylpropanoyl)amino]formamide

C6H9N3O2 — CID 130628791

IUPACN-[(2-cyano-2-methylpropanoyl)amino]formamide
SMILESCC(C)(C#N)C(=O)NNC=O
InChIInChI=1S/C6H9N3O2/c1-6(2,3-7)5(11)9-8-4-10/h4H,1-2H3,(H,8,10)(H,9,11)
InChIKeyXPKXDVTZFXOUSU-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.69
Rot. Bonds3

About N-[(2-cyano-2-methylpropanoyl)amino]formamide

N-[(2-cyano-2-methylpropanoyl)amino]formamide (PubChem CID 130628791) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is N-[(2-cyano-2-methylpropanoyl)amino]formamide.

Molecular Properties

Compound NameN-[(2-cyano-2-methylpropanoyl)amino]formamide
PubChem CID130628791
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC NameN-[(2-cyano-2-methylpropanoyl)amino]formamide
SMILESCC(C)(C#N)C(=O)NNC=O
InChIInChI=1S/C6H9N3O2/c1-6(2,3-7)5(11)9-8-4-10/h4H,1-2H3,(H,8,10)(H,9,11)
InChIKeyXPKXDVTZFXOUSU-UHFFFAOYSA-N
XLogP-0.69
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-cyclopentyl-2-methylpropanamide
CID 60778685
N-but-3-en-2-yl-2-cyano-2-methylpropanamide
CID 115692171
2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpropanamide
CID 107857130
N-[(2-methyl-2-phenylpropanoyl)amino]formamide
CID 71020555
N-[2-(carbamoylamino)ethyl]-2-cyano-2-methylpropanamide
CID 78993885
2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide
CID 61059693
2-cyano-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 61061078
2-cyano-N-(2,3-dimethylbutyl)-2-methylpropanamide
CID 64598100
2-cyano-2-methyl-N-(1-methylcyclopentyl)propanamide
CID 64687039
2-cyano-N-(3-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 65036481
2-cyano-N-(4-fluorophenyl)-2-methylpropanamide
CID 60778732
2-cyano-N-[(2-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 64910829

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyano-2-methylpropanoyl)amino]formamide?
The IUPAC name of N-[(2-cyano-2-methylpropanoyl)amino]formamide (CID 130628791) is N-[(2-cyano-2-methylpropanoyl)amino]formamide.
What is the SMILES notation for N-[(2-cyano-2-methylpropanoyl)amino]formamide?
The canonical SMILES for N-[(2-cyano-2-methylpropanoyl)amino]formamide is CC(C)(C#N)C(=O)NNC=O.
What is the InChIKey of N-[(2-cyano-2-methylpropanoyl)amino]formamide?
The InChIKey is XPKXDVTZFXOUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-6(2,3-7)5(11)9-8-4-10/h4H,1-2H3,(H,8,10)(H,9,11).
What are the key properties of N-[(2-cyano-2-methylpropanoyl)amino]formamide?
N-[(2-cyano-2-methylpropanoyl)amino]formamide has a molecular weight of 155.16 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyano-2-methylpropanoyl)amino]formamide is sourced from PubChem (CID 130628791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).