2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)acetamide

C9H12N2O2 — CID 130658625

IUPAC2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)acetamide
SMILESN#CCC(=O)NCC1=CCCOC1
InChIInChI=1S/C9H12N2O2/c10-4-3-9(12)11-6-8-2-1-5-13-7-8/h2H,1,3,5-7H2,(H,11,12)
InChIKeyCDUGHSYKAMSMAX-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.36
Rot. Bonds3

About 2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)acetamide

2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)acetamide (PubChem CID 130658625) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)acetamide
PubChem CID130658625
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)acetamide
SMILESN#CCC(=O)NCC1=CCCOC1
InChIInChI=1S/C9H12N2O2/c10-4-3-9(12)11-6-8-2-1-5-13-7-8/h2H,1,3,5-7H2,(H,11,12)
InChIKeyCDUGHSYKAMSMAX-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,2-difluoroacetamide
CID 130668383
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propan-2-ylpropanamide
CID 115674391
N-[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethyl]-2-methylpropanamide
CID 115741775
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylacetamide
CID 115741784
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylpropanamide
CID 115741887
4-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N,N-dimethylbutanamide
CID 115741926
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-prop-2-ynylpropanamide
CID 115741938
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N,2,2-trimethylpropanamide
CID 115749006
N-[(5,6-dihydro-2H-pyran-3-yl)methyl]prop-2-enamide
CID 121581690
2-cyano-N-(3,6-dihydro-2H-pyran-4-ylmethyl)propanamide
CID 127017022
2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide
CID 130783814
2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropanamide
CID 130820280

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)acetamide?
The IUPAC name of 2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)acetamide (CID 130658625) is 2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)acetamide.
What is the SMILES notation for 2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)acetamide?
The canonical SMILES for 2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)acetamide is N#CCC(=O)NCC1=CCCOC1.
What is the InChIKey of 2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)acetamide?
The InChIKey is CDUGHSYKAMSMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-4-3-9(12)11-6-8-2-1-5-13-7-8/h2H,1,3,5-7H2,(H,11,12).
What are the key properties of 2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)acetamide?
2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)acetamide has a molecular weight of 180.21 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)acetamide is sourced from PubChem (CID 130658625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).