N-(1-cyano-2-methylpropan-2-yl)formamide

C6H10N2O — CID 54522505

IUPACN-(1-cyano-2-methylpropan-2-yl)formamide
SMILESCC(C)(CC#N)NC=O
InChIInChI=1S/C6H10N2O/c1-6(2,3-4-7)8-5-9/h5H,3H2,1-2H3,(H,8,9)
InChIKeyQPURENVIHBYOPC-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.42
Rot. Bonds3

About N-(1-cyano-2-methylpropan-2-yl)formamide

N-(1-cyano-2-methylpropan-2-yl)formamide (PubChem CID 54522505) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is N-(1-cyano-2-methylpropan-2-yl)formamide.

Molecular Properties

Compound NameN-(1-cyano-2-methylpropan-2-yl)formamide
PubChem CID54522505
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC NameN-(1-cyano-2-methylpropan-2-yl)formamide
SMILESCC(C)(CC#N)NC=O
InChIInChI=1S/C6H10N2O/c1-6(2,3-4-7)8-5-9/h5H,3H2,1-2H3,(H,8,9)
InChIKeyQPURENVIHBYOPC-UHFFFAOYSA-N
XLogP0.42
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-methylpropan-2-yl)formamide?
The IUPAC name of N-(1-cyano-2-methylpropan-2-yl)formamide (CID 54522505) is N-(1-cyano-2-methylpropan-2-yl)formamide.
What is the SMILES notation for N-(1-cyano-2-methylpropan-2-yl)formamide?
The canonical SMILES for N-(1-cyano-2-methylpropan-2-yl)formamide is CC(C)(CC#N)NC=O.
What is the InChIKey of N-(1-cyano-2-methylpropan-2-yl)formamide?
The InChIKey is QPURENVIHBYOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-6(2,3-4-7)8-5-9/h5H,3H2,1-2H3,(H,8,9).
What are the key properties of N-(1-cyano-2-methylpropan-2-yl)formamide?
N-(1-cyano-2-methylpropan-2-yl)formamide has a molecular weight of 126.16 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-methylpropan-2-yl)formamide is sourced from PubChem (CID 54522505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).