N-(1-cyanocyclopropyl)-2,2-dimethylpropanamide

C9H14N2O — CID 90305562

IUPACN-(1-cyanocyclopropyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1(C#N)CC1
InChIInChI=1S/C9H14N2O/c1-8(2,3)7(12)11-9(6-10)4-5-9/h4-5H2,1-3H3,(H,11,12)
InChIKeyOEYFQRSBZVZEEI-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.20
Rot. Bonds1

About N-(1-cyanocyclopropyl)-2,2-dimethylpropanamide

N-(1-cyanocyclopropyl)-2,2-dimethylpropanamide (PubChem CID 90305562) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-2,2-dimethylpropanamide
PubChem CID90305562
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-(1-cyanocyclopropyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1(C#N)CC1
InChIInChI=1S/C9H14N2O/c1-8(2,3)7(12)11-9(6-10)4-5-9/h4-5H2,1-3H3,(H,11,12)
InChIKeyOEYFQRSBZVZEEI-UHFFFAOYSA-N
XLogP1.20
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(1-cyanocyclopropyl)-2,2-dimethylpropanamide (CID 90305562) is N-(1-cyanocyclopropyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(1-cyanocyclopropyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1(C#N)CC1.
What is the InChIKey of N-(1-cyanocyclopropyl)-2,2-dimethylpropanamide?
The InChIKey is OEYFQRSBZVZEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-8(2,3)7(12)11-9(6-10)4-5-9/h4-5H2,1-3H3,(H,11,12).
What are the key properties of N-(1-cyanocyclopropyl)-2,2-dimethylpropanamide?
N-(1-cyanocyclopropyl)-2,2-dimethylpropanamide has a molecular weight of 166.22 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 90305562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).