N-(2-cyanopropan-2-yl)pentanamide

C9H16N2O — CID 60966959

IUPACN-(2-cyanopropan-2-yl)pentanamide
SMILESCCCCC(=O)NC(C)(C)C#N
InChIInChI=1S/C9H16N2O/c1-4-5-6-8(12)11-9(2,3)7-10/h4-6H2,1-3H3,(H,11,12)
InChIKeyJGXUSDDNFBHDKU-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.59
Rot. Bonds4

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

N-(2-cyanopropan-2-yl)pentanamide (PubChem CID 60966959) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)pentanamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)pentanamide
PubChem CID60966959
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(2-cyanopropan-2-yl)pentanamide
SMILESCCCCC(=O)NC(C)(C)C#N
InChIInChI=1S/C9H16N2O/c1-4-5-6-8(12)11-9(2,3)7-10/h4-6H2,1-3H3,(H,11,12)
InChIKeyJGXUSDDNFBHDKU-UHFFFAOYSA-N
XLogP1.59
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.59
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)pentanamide?
The IUPAC name of N-(2-cyanopropan-2-yl)pentanamide (CID 60966959) is N-(2-cyanopropan-2-yl)pentanamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)pentanamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)pentanamide is CCCCC(=O)NC(C)(C)C#N.
What is the InChIKey of N-(2-cyanopropan-2-yl)pentanamide?
The InChIKey is JGXUSDDNFBHDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-5-6-8(12)11-9(2,3)7-10/h4-6H2,1-3H3,(H,11,12).
What are the key properties of N-(2-cyanopropan-2-yl)pentanamide?
N-(2-cyanopropan-2-yl)pentanamide has a molecular weight of 168.24 g/mol, XLogP of 1.59, 4 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)pentanamide is sourced from PubChem (CID 60966959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).