N-(1-cyano-2-methoxyethyl)acetamide

C6H10N2O2 — CID 127014883

IUPACN-(1-cyano-2-methoxyethyl)acetamide
SMILESCOCC(C#N)NC(C)=O
InChIInChI=1S/C6H10N2O2/c1-5(9)8-6(3-7)4-10-2/h6H,4H2,1-2H3,(H,8,9)
InChIKeyYHOVUGBYNIUQQC-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.34
Rot. Bonds3

About N-(1-cyano-2-methoxyethyl)acetamide

N-(1-cyano-2-methoxyethyl)acetamide (PubChem CID 127014883) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is N-(1-cyano-2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-(1-cyano-2-methoxyethyl)acetamide
PubChem CID127014883
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC NameN-(1-cyano-2-methoxyethyl)acetamide
SMILESCOCC(C#N)NC(C)=O
InChIInChI=1S/C6H10N2O2/c1-5(9)8-6(3-7)4-10-2/h6H,4H2,1-2H3,(H,8,9)
InChIKeyYHOVUGBYNIUQQC-UHFFFAOYSA-N
XLogP-0.34
TPSA62.12 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 ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-methoxybutan-2-yl]acetamide
CID 118873564
N-(1-cyano-2-methoxyethyl)benzamide
CID 70426540
N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053654
N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide
CID 167034901
methyl 2-cyano-3-methoxypropanoate
CID 88578090
N-[(1R)-1,3-dihydroxy-1-(2-hydroxyethoxy)-4-methoxybutan-2-yl]acetamide
CID 89424443
2-(2-methoxyethoxyamino)butanenitrile
CID 82721414
N-(1-cyano-2-methylbutyl)acetamide
CID 538622
N-[(1S)-2-(4-bromophenyl)-1-cyanoethyl]acetamide
CID 132573784
N-(1-cyanobutyl)-4-methoxybutanamide
CID 78917905
N-(1-methoxybutan-2-yl)propanamide
CID 64590697
2-cyano-N-(1-methoxypropan-2-yl)acetamide
CID 3371821

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-methoxyethyl)acetamide?
The IUPAC name of N-(1-cyano-2-methoxyethyl)acetamide (CID 127014883) is N-(1-cyano-2-methoxyethyl)acetamide.
What is the SMILES notation for N-(1-cyano-2-methoxyethyl)acetamide?
The canonical SMILES for N-(1-cyano-2-methoxyethyl)acetamide is COCC(C#N)NC(C)=O.
What is the InChIKey of N-(1-cyano-2-methoxyethyl)acetamide?
The InChIKey is YHOVUGBYNIUQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-5(9)8-6(3-7)4-10-2/h6H,4H2,1-2H3,(H,8,9).
What are the key properties of N-(1-cyano-2-methoxyethyl)acetamide?
N-(1-cyano-2-methoxyethyl)acetamide has a molecular weight of 142.16 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-methoxyethyl)acetamide is sourced from PubChem (CID 127014883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).