N-methyl-3,6-dihydro-2H-pyran-2-carboxamide

C7H11NO2 — CID 138741306

IUPACN-methyl-3,6-dihydro-2H-pyran-2-carboxamide
SMILESCNC(=O)C1CC=CCO1
InChIInChI=1S/C7H11NO2/c1-8-7(9)6-4-2-3-5-10-6/h2-3,6H,4-5H2,1H3,(H,8,9)
InChIKeyPBRBBMDVAYLNRK-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.08
Rot. Bonds1

About N-methyl-3,6-dihydro-2H-pyran-2-carboxamide

N-methyl-3,6-dihydro-2H-pyran-2-carboxamide (PubChem CID 138741306) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-methyl-3,6-dihydro-2H-pyran-2-carboxamide.

Molecular Properties

Compound NameN-methyl-3,6-dihydro-2H-pyran-2-carboxamide
PubChem CID138741306
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-methyl-3,6-dihydro-2H-pyran-2-carboxamide
SMILESCNC(=O)C1CC=CCO1
InChIInChI=1S/C7H11NO2/c1-8-7(9)6-4-2-3-5-10-6/h2-3,6H,4-5H2,1H3,(H,8,9)
InChIKeyPBRBBMDVAYLNRK-UHFFFAOYSA-N
XLogP0.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3,6-dihydro-2H-pyran-2-carboxamide?
The IUPAC name of N-methyl-3,6-dihydro-2H-pyran-2-carboxamide (CID 138741306) is N-methyl-3,6-dihydro-2H-pyran-2-carboxamide.
What is the SMILES notation for N-methyl-3,6-dihydro-2H-pyran-2-carboxamide?
The canonical SMILES for N-methyl-3,6-dihydro-2H-pyran-2-carboxamide is CNC(=O)C1CC=CCO1.
What is the InChIKey of N-methyl-3,6-dihydro-2H-pyran-2-carboxamide?
The InChIKey is PBRBBMDVAYLNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-8-7(9)6-4-2-3-5-10-6/h2-3,6H,4-5H2,1H3,(H,8,9).
What are the key properties of N-methyl-3,6-dihydro-2H-pyran-2-carboxamide?
N-methyl-3,6-dihydro-2H-pyran-2-carboxamide has a molecular weight of 141.17 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,6-dihydro-2H-pyran-2-carboxamide is sourced from PubChem (CID 138741306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).