N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)cyclopentanecarboxamide

C13H22N2O2 — CID 66210556

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)cyclopentanecarboxamide
SMILESNC1C2CCCOC2C1NC(=O)C1CCCC1
InChIInChI=1S/C13H22N2O2/c14-10-9-6-3-7-17-12(9)11(10)15-13(16)8-4-1-2-5-8/h8-12H,1-7,14H2,(H,15,16)
InChIKeyBXWZGFSPHRESOR-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.80
Rot. Bonds2

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)cyclopentanecarboxamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)cyclopentanecarboxamide (PubChem CID 66210556) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)cyclopentanecarboxamide
PubChem CID66210556
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)cyclopentanecarboxamide
SMILESNC1C2CCCOC2C1NC(=O)C1CCCC1
InChIInChI=1S/C13H22N2O2/c14-10-9-6-3-7-17-12(9)11(10)15-13(16)8-4-1-2-5-8/h8-12H,1-7,14H2,(H,15,16)
InChIKeyBXWZGFSPHRESOR-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)cyclopentanecarboxamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)cyclopentanecarboxamide (CID 66210556) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)cyclopentanecarboxamide is NC1C2CCCOC2C1NC(=O)C1CCCC1.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)cyclopentanecarboxamide?
The InChIKey is BXWZGFSPHRESOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c14-10-9-6-3-7-17-12(9)11(10)15-13(16)8-4-1-2-5-8/h8-12H,1-7,14H2,(H,15,16).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)cyclopentanecarboxamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)cyclopentanecarboxamide has a molecular weight of 238.33 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)cyclopentanecarboxamide is sourced from PubChem (CID 66210556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).