2H-pyran-5-carboxamide

C6H7NO2 — CID 56621790

IUPAC2H-pyran-5-carboxamide
SMILESNC(=O)C1=COCC=C1
InChIInChI=1S/C6H7NO2/c7-6(8)5-2-1-3-9-4-5/h1-2,4H,3H2,(H2,7,8)
InChIKeyZKKMHTVYCRUHLW-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.06
Rot. Bonds1

About 2H-pyran-5-carboxamide

2H-pyran-5-carboxamide (PubChem CID 56621790) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 2H-pyran-5-carboxamide.

Molecular Properties

Compound Name2H-pyran-5-carboxamide
PubChem CID56621790
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name2H-pyran-5-carboxamide
SMILESNC(=O)C1=COCC=C1
InChIInChI=1S/C6H7NO2/c7-6(8)5-2-1-3-9-4-5/h1-2,4H,3H2,(H2,7,8)
InChIKeyZKKMHTVYCRUHLW-UHFFFAOYSA-N
XLogP-0.06
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-pyran-5-carboxamide?
The IUPAC name of 2H-pyran-5-carboxamide (CID 56621790) is 2H-pyran-5-carboxamide.
What is the SMILES notation for 2H-pyran-5-carboxamide?
The canonical SMILES for 2H-pyran-5-carboxamide is NC(=O)C1=COCC=C1.
What is the InChIKey of 2H-pyran-5-carboxamide?
The InChIKey is ZKKMHTVYCRUHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c7-6(8)5-2-1-3-9-4-5/h1-2,4H,3H2,(H2,7,8).
What are the key properties of 2H-pyran-5-carboxamide?
2H-pyran-5-carboxamide has a molecular weight of 125.13 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-5-carboxamide is sourced from PubChem (CID 56621790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).