N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-oxopentanamide

C11H17NO3 — CID 80602124

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)NC1CC2CCC1O2
InChIInChI=1S/C11H17NO3/c1-7(13)2-5-11(14)12-9-6-8-3-4-10(9)15-8/h8-10H,2-6H2,1H3,(H,12,14)
InChIKeyIANFROULDTZALK-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.79
Rot. Bonds4

About N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-oxopentanamide

N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-oxopentanamide (PubChem CID 80602124) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-oxopentanamide.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-oxopentanamide
PubChem CID80602124
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)NC1CC2CCC1O2
InChIInChI=1S/C11H17NO3/c1-7(13)2-5-11(14)12-9-6-8-3-4-10(9)15-8/h8-10H,2-6H2,1H3,(H,12,14)
InChIKeyIANFROULDTZALK-UHFFFAOYSA-N
XLogP0.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-oxopentanamide?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-oxopentanamide (CID 80602124) is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-oxopentanamide.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-oxopentanamide?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-oxopentanamide is CC(=O)CCC(=O)NC1CC2CCC1O2.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-oxopentanamide?
The InChIKey is IANFROULDTZALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7(13)2-5-11(14)12-9-6-8-3-4-10(9)15-8/h8-10H,2-6H2,1H3,(H,12,14).
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-oxopentanamide?
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-oxopentanamide has a molecular weight of 211.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-oxopentanamide is sourced from PubChem (CID 80602124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).