2-cyano-N-(oxolan-3-ylmethyl)propanamide

C9H14N2O2 — CID 62825407

IUPAC2-cyano-N-(oxolan-3-ylmethyl)propanamide
SMILESCC(C#N)C(=O)NCC1CCOC1
InChIInChI=1S/C9H14N2O2/c1-7(4-10)9(12)11-5-8-2-3-13-6-8/h7-8H,2-3,5-6H2,1H3,(H,11,12)
InChIKeyWYLPPMGVGIYJMK-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.30
Rot. Bonds3

About 2-cyano-N-(oxolan-3-ylmethyl)propanamide

2-cyano-N-(oxolan-3-ylmethyl)propanamide (PubChem CID 62825407) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-cyano-N-(oxolan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(oxolan-3-ylmethyl)propanamide
PubChem CID62825407
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-cyano-N-(oxolan-3-ylmethyl)propanamide
SMILESCC(C#N)C(=O)NCC1CCOC1
InChIInChI=1S/C9H14N2O2/c1-7(4-10)9(12)11-5-8-2-3-13-6-8/h7-8H,2-3,5-6H2,1H3,(H,11,12)
InChIKeyWYLPPMGVGIYJMK-UHFFFAOYSA-N
XLogP0.30
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135
(2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 61179026
2-methyl-3-(methylamino)-N-(oxolan-3-ylmethyl)propanamide;hydrochloride
CID 119716813
2-cyano-3-methyl-N-(oxan-4-ylmethyl)butanamide
CID 63706504
2-amino-4-methyl-N-(oxolan-3-ylmethyl)pentanamide
CID 60921018
2,2-difluoro-N-(oxolan-3-ylmethyl)acetamide
CID 103515423
2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 62822757
2-cyano-N-[(3,3-difluorocyclobutyl)methyl]propanamide
CID 131181775
3,3-dimethyl-2-(oxolan-3-ylmethylcarbamoyl)butanoic acid
CID 116537103
3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119716804
N-[(1R)-1-cyanoethyl]-2-[(3R)-oxolan-3-yl]acetamide
CID 130710840
N-[[4-[(2-cyanopropanoylamino)methyl]cyclohexyl]methyl]-4-ethylcyclohexane-1-carboxamide
CID 166321617

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(oxolan-3-ylmethyl)propanamide?
The IUPAC name of 2-cyano-N-(oxolan-3-ylmethyl)propanamide (CID 62825407) is 2-cyano-N-(oxolan-3-ylmethyl)propanamide.
What is the SMILES notation for 2-cyano-N-(oxolan-3-ylmethyl)propanamide?
The canonical SMILES for 2-cyano-N-(oxolan-3-ylmethyl)propanamide is CC(C#N)C(=O)NCC1CCOC1.
What is the InChIKey of 2-cyano-N-(oxolan-3-ylmethyl)propanamide?
The InChIKey is WYLPPMGVGIYJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(4-10)9(12)11-5-8-2-3-13-6-8/h7-8H,2-3,5-6H2,1H3,(H,11,12).
What are the key properties of 2-cyano-N-(oxolan-3-ylmethyl)propanamide?
2-cyano-N-(oxolan-3-ylmethyl)propanamide has a molecular weight of 182.22 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(oxolan-3-ylmethyl)propanamide is sourced from PubChem (CID 62825407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).