3-(cyclopentyloxyamino)azepan-2-one

C11H20N2O2 — CID 83229807

IUPAC3-(cyclopentyloxyamino)azepan-2-one
SMILESO=C1NCCCCC1NOC1CCCC1
InChIInChI=1S/C11H20N2O2/c14-11-10(7-3-4-8-12-11)13-15-9-5-1-2-6-9/h9-10,13H,1-8H2,(H,12,14)
InChIKeyPXBXWEVAEGTOQO-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.12
Rot. Bonds3

About 3-(cyclopentyloxyamino)azepan-2-one

3-(cyclopentyloxyamino)azepan-2-one (PubChem CID 83229807) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-(cyclopentyloxyamino)azepan-2-one.

Molecular Properties

Compound Name3-(cyclopentyloxyamino)azepan-2-one
PubChem CID83229807
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-(cyclopentyloxyamino)azepan-2-one
SMILESO=C1NCCCCC1NOC1CCCC1
InChIInChI=1S/C11H20N2O2/c14-11-10(7-3-4-8-12-11)13-15-9-5-1-2-6-9/h9-10,13H,1-8H2,(H,12,14)
InChIKeyPXBXWEVAEGTOQO-UHFFFAOYSA-N
XLogP1.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentyloxyamino)azepan-2-one?
The IUPAC name of 3-(cyclopentyloxyamino)azepan-2-one (CID 83229807) is 3-(cyclopentyloxyamino)azepan-2-one.
What is the SMILES notation for 3-(cyclopentyloxyamino)azepan-2-one?
The canonical SMILES for 3-(cyclopentyloxyamino)azepan-2-one is O=C1NCCCCC1NOC1CCCC1.
What is the InChIKey of 3-(cyclopentyloxyamino)azepan-2-one?
The InChIKey is PXBXWEVAEGTOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-11-10(7-3-4-8-12-11)13-15-9-5-1-2-6-9/h9-10,13H,1-8H2,(H,12,14).
What are the key properties of 3-(cyclopentyloxyamino)azepan-2-one?
3-(cyclopentyloxyamino)azepan-2-one has a molecular weight of 212.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentyloxyamino)azepan-2-one is sourced from PubChem (CID 83229807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).