2-cyano-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide

C9H12N2O2 — CID 91618592

IUPAC2-cyano-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide
SMILESN#CCC(=O)NCC1CCC=CO1
InChIInChI=1S/C9H12N2O2/c10-5-4-9(12)11-7-8-3-1-2-6-13-8/h2,6,8H,1,3-4,7H2,(H,11,12)
InChIKeyUBWZLECSVFOKIN-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.71
Rot. Bonds3

About 2-cyano-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide

2-cyano-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide (PubChem CID 91618592) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-cyano-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide
PubChem CID91618592
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-cyano-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide
SMILESN#CCC(=O)NCC1CCC=CO1
InChIInChI=1S/C9H12N2O2/c10-5-4-9(12)11-7-8-3-1-2-6-13-8/h2,6,8H,1,3-4,7H2,(H,11,12)
InChIKeyUBWZLECSVFOKIN-UHFFFAOYSA-N
XLogP0.71
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-propan-2-yloxypropanamide
CID 97820590
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-fluoro-2-methylpropanamide
CID 130783856
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroacetamide
CID 130834904
N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-enamide
CID 102248495
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide
CID 62064241
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 62064371
4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide
CID 62064413
N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]acetamide
CID 62064884
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide
CID 62064941
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide
CID 62065091
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylpropanamide
CID 62065110
N-butan-2-yl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide
CID 62065283

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide?
The IUPAC name of 2-cyano-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide (CID 91618592) is 2-cyano-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide.
What is the SMILES notation for 2-cyano-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide?
The canonical SMILES for 2-cyano-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide is N#CCC(=O)NCC1CCC=CO1.
What is the InChIKey of 2-cyano-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide?
The InChIKey is UBWZLECSVFOKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-5-4-9(12)11-7-8-3-1-2-6-13-8/h2,6,8H,1,3-4,7H2,(H,11,12).
What are the key properties of 2-cyano-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide?
2-cyano-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide has a molecular weight of 180.21 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide is sourced from PubChem (CID 91618592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).