N-[(S)-cyano(cyclopropyl)methyl]-2-methylpropanamide

C9H14N2O — CID 170087415

IUPACN-[(S)-cyano(cyclopropyl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H](C#N)C1CC1
InChIInChI=1S/C9H14N2O/c1-6(2)9(12)11-8(5-10)7-3-4-7/h6-8H,3-4H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyCYHKJLLXAJXCMR-MRVPVSSYSA-N
MW166.22 g/mol
LogP1.06
Rot. Bonds3

About N-[(S)-cyano(cyclopropyl)methyl]-2-methylpropanamide

N-[(S)-cyano(cyclopropyl)methyl]-2-methylpropanamide (PubChem CID 170087415) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-[(S)-cyano(cyclopropyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(S)-cyano(cyclopropyl)methyl]-2-methylpropanamide
PubChem CID170087415
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-[(S)-cyano(cyclopropyl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H](C#N)C1CC1
InChIInChI=1S/C9H14N2O/c1-6(2)9(12)11-8(5-10)7-3-4-7/h6-8H,3-4H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyCYHKJLLXAJXCMR-MRVPVSSYSA-N
XLogP1.06
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
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-[(S)-cyano(cyclopropyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(S)-cyano(cyclopropyl)methyl]-2-methylpropanamide (CID 170087415) is N-[(S)-cyano(cyclopropyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(S)-cyano(cyclopropyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(S)-cyano(cyclopropyl)methyl]-2-methylpropanamide is CC(C)C(=O)N[C@H](C#N)C1CC1.
What is the InChIKey of N-[(S)-cyano(cyclopropyl)methyl]-2-methylpropanamide?
The InChIKey is CYHKJLLXAJXCMR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(2)9(12)11-8(5-10)7-3-4-7/h6-8H,3-4H2,1-2H3,(H,11,12)/t8-/m1/s1.
What are the key properties of N-[(S)-cyano(cyclopropyl)methyl]-2-methylpropanamide?
N-[(S)-cyano(cyclopropyl)methyl]-2-methylpropanamide has a molecular weight of 166.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyano(cyclopropyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 170087415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).