2-cyclopentyl-1,4-oxazepane

C10H19NO — CID 82598086

IUPAC2-cyclopentyl-1,4-oxazepane
SMILESC1CNCC(C2CCCC2)OC1
InChIInChI=1S/C10H19NO/c1-2-5-9(4-1)10-8-11-6-3-7-12-10/h9-11H,1-8H2
InChIKeyXOYSMTLDDNVCJF-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.56
Rot. Bonds1

About 2-cyclopentyl-1,4-oxazepane

2-cyclopentyl-1,4-oxazepane (PubChem CID 82598086) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-cyclopentyl-1,4-oxazepane.

Molecular Properties

Compound Name2-cyclopentyl-1,4-oxazepane
PubChem CID82598086
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-cyclopentyl-1,4-oxazepane
SMILESC1CNCC(C2CCCC2)OC1
InChIInChI=1S/C10H19NO/c1-2-5-9(4-1)10-8-11-6-3-7-12-10/h9-11H,1-8H2
InChIKeyXOYSMTLDDNVCJF-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1,4-oxazepane?
The IUPAC name of 2-cyclopentyl-1,4-oxazepane (CID 82598086) is 2-cyclopentyl-1,4-oxazepane.
What is the SMILES notation for 2-cyclopentyl-1,4-oxazepane?
The canonical SMILES for 2-cyclopentyl-1,4-oxazepane is C1CNCC(C2CCCC2)OC1.
What is the InChIKey of 2-cyclopentyl-1,4-oxazepane?
The InChIKey is XOYSMTLDDNVCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-5-9(4-1)10-8-11-6-3-7-12-10/h9-11H,1-8H2.
What are the key properties of 2-cyclopentyl-1,4-oxazepane?
2-cyclopentyl-1,4-oxazepane has a molecular weight of 169.27 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1,4-oxazepane is sourced from PubChem (CID 82598086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).