N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide

C6H10N2O2 — CID 43289856

IUPACN-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
SMILESCN(CCC#N)C(=O)CO
InChIInChI=1S/C6H10N2O2/c1-8(4-2-3-7)6(10)5-9/h9H,2,4-5H2,1H3
InChIKeySBUNWVLIUOTJAG-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.65
Rot. Bonds3

About N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide

N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide (PubChem CID 43289856) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
PubChem CID43289856
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC NameN-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
SMILESCN(CCC#N)C(=O)CO
InChIInChI=1S/C6H10N2O2/c1-8(4-2-3-7)6(10)5-9/h9H,2,4-5H2,1H3
InChIKeySBUNWVLIUOTJAG-UHFFFAOYSA-N
XLogP-0.65
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide
CID 43289311
N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide
CID 55228110
N-(2-cyanoethyl)-N-methyl-4-(methylamino)butanamide
CID 60841865
N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide
CID 43289053
N-(2-cyanoethyl)-N-methylcarbamoyl chloride
CID 54246845
N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide
CID 43571057
3-[bis(2-amino-2-oxoethyl)amino]-N-(2-cyanoethyl)-N-methylpropanamide
CID 55157025
N-(2-cyanoethyl)-3-(2,3-dihydroxypropylsulfanyl)-N-methylpropanamide
CID 79682818
N-(2-cyanoethyl)-3-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methylpropanamide
CID 114233668
N-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide
CID 54996850
(2S)-2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]amino]propanoic acid
CID 83194395

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide (CID 43289856) is N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide is CN(CCC#N)C(=O)CO.
What is the InChIKey of N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide?
The InChIKey is SBUNWVLIUOTJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-8(4-2-3-7)6(10)5-9/h9H,2,4-5H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide?
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide has a molecular weight of 142.16 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 43289856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).