N-cyclopentyl-5-ethoxy-4-oxopyran-2-carboxamide

C13H17NO4 — CID 30860241

IUPACN-cyclopentyl-5-ethoxy-4-oxopyran-2-carboxamide
SMILESCCOc1coc(C(=O)NC2CCCC2)cc1=O
InChIInChI=1S/C13H17NO4/c1-2-17-12-8-18-11(7-10(12)15)13(16)14-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,14,16)
InChIKeyBPBXPCYLDRRJQW-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.71
Rot. Bonds4

About N-cyclopentyl-5-ethoxy-4-oxopyran-2-carboxamide

N-cyclopentyl-5-ethoxy-4-oxopyran-2-carboxamide (PubChem CID 30860241) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-cyclopentyl-5-ethoxy-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-ethoxy-4-oxopyran-2-carboxamide
PubChem CID30860241
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-cyclopentyl-5-ethoxy-4-oxopyran-2-carboxamide
SMILESCCOc1coc(C(=O)NC2CCCC2)cc1=O
InChIInChI=1S/C13H17NO4/c1-2-17-12-8-18-11(7-10(12)15)13(16)14-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,14,16)
InChIKeyBPBXPCYLDRRJQW-UHFFFAOYSA-N
XLogP1.71
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-ethoxy-4-oxopyran-2-carboxamide?
The IUPAC name of N-cyclopentyl-5-ethoxy-4-oxopyran-2-carboxamide (CID 30860241) is N-cyclopentyl-5-ethoxy-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-ethoxy-4-oxopyran-2-carboxamide?
The canonical SMILES for N-cyclopentyl-5-ethoxy-4-oxopyran-2-carboxamide is CCOc1coc(C(=O)NC2CCCC2)cc1=O.
What is the InChIKey of N-cyclopentyl-5-ethoxy-4-oxopyran-2-carboxamide?
The InChIKey is BPBXPCYLDRRJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-2-17-12-8-18-11(7-10(12)15)13(16)14-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,14,16).
What are the key properties of N-cyclopentyl-5-ethoxy-4-oxopyran-2-carboxamide?
N-cyclopentyl-5-ethoxy-4-oxopyran-2-carboxamide has a molecular weight of 251.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-ethoxy-4-oxopyran-2-carboxamide is sourced from PubChem (CID 30860241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).