N-(2-cyanopropan-2-yl)propanamide

C7H12N2O — CID 22972527

IUPACN-(2-cyanopropan-2-yl)propanamide
SMILESCCC(=O)NC(C)(C)C#N
InChIInChI=1S/C7H12N2O/c1-4-6(10)9-7(2,3)5-8/h4H2,1-3H3,(H,9,10)
InChIKeyWJOIXJDXMKMVJX-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.81
Rot. Bonds2

About N-(2-cyanopropan-2-yl)propanamide

N-(2-cyanopropan-2-yl)propanamide (PubChem CID 22972527) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)propanamide
PubChem CID22972527
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-(2-cyanopropan-2-yl)propanamide
SMILESCCC(=O)NC(C)(C)C#N
InChIInChI=1S/C7H12N2O/c1-4-6(10)9-7(2,3)5-8/h4H2,1-3H3,(H,9,10)
InChIKeyWJOIXJDXMKMVJX-UHFFFAOYSA-N
XLogP0.81
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)propanamide?
The IUPAC name of N-(2-cyanopropan-2-yl)propanamide (CID 22972527) is N-(2-cyanopropan-2-yl)propanamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)propanamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)propanamide is CCC(=O)NC(C)(C)C#N.
What is the InChIKey of N-(2-cyanopropan-2-yl)propanamide?
The InChIKey is WJOIXJDXMKMVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-6(10)9-7(2,3)5-8/h4H2,1-3H3,(H,9,10).
What are the key properties of N-(2-cyanopropan-2-yl)propanamide?
N-(2-cyanopropan-2-yl)propanamide has a molecular weight of 140.19 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)propanamide is sourced from PubChem (CID 22972527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).