N-(2-cyanopropan-2-yl)propanamide;molecular hydrogen

C7H14N2O — CID 143042667

IUPACN-(2-cyanopropan-2-yl)propanamide;molecular hydrogen
SMILESCCC(=O)NC(C)(C)C#N.[H][H]
InChIInChI=1S/C7H12N2O.H2/c1-4-6(10)9-7(2,3)5-8;/h4H2,1-3H3,(H,9,10);1H
InChIKeyJHWYMRATCMWFLL-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.06
Rot. Bonds2

About N-(2-cyanopropan-2-yl)propanamide;molecular hydrogen

N-(2-cyanopropan-2-yl)propanamide;molecular hydrogen (PubChem CID 143042667) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)propanamide;molecular hydrogen.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)propanamide;molecular hydrogen
PubChem CID143042667
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-(2-cyanopropan-2-yl)propanamide;molecular hydrogen
SMILESCCC(=O)NC(C)(C)C#N.[H][H]
InChIInChI=1S/C7H12N2O.H2/c1-4-6(10)9-7(2,3)5-8;/h4H2,1-3H3,(H,9,10);1H
InChIKeyJHWYMRATCMWFLL-UHFFFAOYSA-N
XLogP1.06
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.06
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;molecular hydrogen?
The IUPAC name of N-(2-cyanopropan-2-yl)propanamide;molecular hydrogen (CID 143042667) is N-(2-cyanopropan-2-yl)propanamide;molecular hydrogen.
What is the SMILES notation for N-(2-cyanopropan-2-yl)propanamide;molecular hydrogen?
The canonical SMILES for N-(2-cyanopropan-2-yl)propanamide;molecular hydrogen is CCC(=O)NC(C)(C)C#N.[H][H].
What is the InChIKey of N-(2-cyanopropan-2-yl)propanamide;molecular hydrogen?
The InChIKey is JHWYMRATCMWFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.H2/c1-4-6(10)9-7(2,3)5-8;/h4H2,1-3H3,(H,9,10);1H.
What are the key properties of N-(2-cyanopropan-2-yl)propanamide;molecular hydrogen?
N-(2-cyanopropan-2-yl)propanamide;molecular hydrogen has a molecular weight of 142.20 g/mol, XLogP of 1.06, 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;molecular hydrogen is sourced from PubChem (CID 143042667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).