N-methoxy-3,6-dihydro-2H-pyran-4-carboxamide

C7H11NO3 — CID 130626504

IUPACN-methoxy-3,6-dihydro-2H-pyran-4-carboxamide
SMILESCONC(=O)C1=CCOCC1
InChIInChI=1S/C7H11NO3/c1-10-8-7(9)6-2-4-11-5-3-6/h2H,3-5H2,1H3,(H,8,9)
InChIKeyOOONJOFBXFEMQS-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.01
Rot. Bonds2

About N-methoxy-3,6-dihydro-2H-pyran-4-carboxamide

N-methoxy-3,6-dihydro-2H-pyran-4-carboxamide (PubChem CID 130626504) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is N-methoxy-3,6-dihydro-2H-pyran-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-3,6-dihydro-2H-pyran-4-carboxamide
PubChem CID130626504
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC NameN-methoxy-3,6-dihydro-2H-pyran-4-carboxamide
SMILESCONC(=O)C1=CCOCC1
InChIInChI=1S/C7H11NO3/c1-10-8-7(9)6-2-4-11-5-3-6/h2H,3-5H2,1H3,(H,8,9)
InChIKeyOOONJOFBXFEMQS-UHFFFAOYSA-N
XLogP0.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.01
H-Bond Donors ≤ 51
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-3,6-dihydro-2H-pyran-4-carboxamide?
The IUPAC name of N-methoxy-3,6-dihydro-2H-pyran-4-carboxamide (CID 130626504) is N-methoxy-3,6-dihydro-2H-pyran-4-carboxamide.
What is the SMILES notation for N-methoxy-3,6-dihydro-2H-pyran-4-carboxamide?
The canonical SMILES for N-methoxy-3,6-dihydro-2H-pyran-4-carboxamide is CONC(=O)C1=CCOCC1.
What is the InChIKey of N-methoxy-3,6-dihydro-2H-pyran-4-carboxamide?
The InChIKey is OOONJOFBXFEMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-10-8-7(9)6-2-4-11-5-3-6/h2H,3-5H2,1H3,(H,8,9).
What are the key properties of N-methoxy-3,6-dihydro-2H-pyran-4-carboxamide?
N-methoxy-3,6-dihydro-2H-pyran-4-carboxamide has a molecular weight of 157.17 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3,6-dihydro-2H-pyran-4-carboxamide is sourced from PubChem (CID 130626504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).