2-oxo-N-propan-2-yl-3,4-dihydropyran-6-carboxamide

C9H13NO3 — CID 170233465

IUPAC2-oxo-N-propan-2-yl-3,4-dihydropyran-6-carboxamide
SMILESCC(C)NC(=O)C1=CCCC(=O)O1
InChIInChI=1S/C9H13NO3/c1-6(2)10-9(12)7-4-3-5-8(11)13-7/h4,6H,3,5H2,1-2H3,(H,10,12)
InChIKeyKJVSFPZUDFOZKB-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.73
Rot. Bonds2

About 2-oxo-N-propan-2-yl-3,4-dihydropyran-6-carboxamide

2-oxo-N-propan-2-yl-3,4-dihydropyran-6-carboxamide (PubChem CID 170233465) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-oxo-N-propan-2-yl-3,4-dihydropyran-6-carboxamide.

Molecular Properties

Compound Name2-oxo-N-propan-2-yl-3,4-dihydropyran-6-carboxamide
PubChem CID170233465
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-oxo-N-propan-2-yl-3,4-dihydropyran-6-carboxamide
SMILESCC(C)NC(=O)C1=CCCC(=O)O1
InChIInChI=1S/C9H13NO3/c1-6(2)10-9(12)7-4-3-5-8(11)13-7/h4,6H,3,5H2,1-2H3,(H,10,12)
InChIKeyKJVSFPZUDFOZKB-UHFFFAOYSA-N
XLogP0.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-propan-2-yl-3,4-dihydropyran-6-carboxamide?
The IUPAC name of 2-oxo-N-propan-2-yl-3,4-dihydropyran-6-carboxamide (CID 170233465) is 2-oxo-N-propan-2-yl-3,4-dihydropyran-6-carboxamide.
What is the SMILES notation for 2-oxo-N-propan-2-yl-3,4-dihydropyran-6-carboxamide?
The canonical SMILES for 2-oxo-N-propan-2-yl-3,4-dihydropyran-6-carboxamide is CC(C)NC(=O)C1=CCCC(=O)O1.
What is the InChIKey of 2-oxo-N-propan-2-yl-3,4-dihydropyran-6-carboxamide?
The InChIKey is KJVSFPZUDFOZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6(2)10-9(12)7-4-3-5-8(11)13-7/h4,6H,3,5H2,1-2H3,(H,10,12).
What are the key properties of 2-oxo-N-propan-2-yl-3,4-dihydropyran-6-carboxamide?
2-oxo-N-propan-2-yl-3,4-dihydropyran-6-carboxamide has a molecular weight of 183.21 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-propan-2-yl-3,4-dihydropyran-6-carboxamide is sourced from PubChem (CID 170233465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).