N-methoxy-N-methyl-3,4-dihydro-2H-pyran-2-carboxamide

C8H13NO3 — CID 130711038

IUPACN-methoxy-N-methyl-3,4-dihydro-2H-pyran-2-carboxamide
SMILESCON(C)C(=O)C1CCC=CO1
InChIInChI=1S/C8H13NO3/c1-9(11-2)8(10)7-5-3-4-6-12-7/h4,6-7H,3,5H2,1-2H3
InChIKeyOMKVJPMEWAFCMR-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.70
Rot. Bonds2

About N-methoxy-N-methyl-3,4-dihydro-2H-pyran-2-carboxamide

N-methoxy-N-methyl-3,4-dihydro-2H-pyran-2-carboxamide (PubChem CID 130711038) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is N-methoxy-N-methyl-3,4-dihydro-2H-pyran-2-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-3,4-dihydro-2H-pyran-2-carboxamide
PubChem CID130711038
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC NameN-methoxy-N-methyl-3,4-dihydro-2H-pyran-2-carboxamide
SMILESCON(C)C(=O)C1CCC=CO1
InChIInChI=1S/C8H13NO3/c1-9(11-2)8(10)7-5-3-4-6-12-7/h4,6-7H,3,5H2,1-2H3
InChIKeyOMKVJPMEWAFCMR-UHFFFAOYSA-N
XLogP0.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-3,4-dihydro-2H-pyran-2-carboxamide?
The IUPAC name of N-methoxy-N-methyl-3,4-dihydro-2H-pyran-2-carboxamide (CID 130711038) is N-methoxy-N-methyl-3,4-dihydro-2H-pyran-2-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-3,4-dihydro-2H-pyran-2-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-3,4-dihydro-2H-pyran-2-carboxamide is CON(C)C(=O)C1CCC=CO1.
What is the InChIKey of N-methoxy-N-methyl-3,4-dihydro-2H-pyran-2-carboxamide?
The InChIKey is OMKVJPMEWAFCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-9(11-2)8(10)7-5-3-4-6-12-7/h4,6-7H,3,5H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-3,4-dihydro-2H-pyran-2-carboxamide?
N-methoxy-N-methyl-3,4-dihydro-2H-pyran-2-carboxamide has a molecular weight of 171.20 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-3,4-dihydro-2H-pyran-2-carboxamide is sourced from PubChem (CID 130711038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).