2-cycloheptyl-1,3-oxazepane

C12H23NO — CID 175475084

IUPAC2-cycloheptyl-1,3-oxazepane
SMILESC1CCCC(C2NCCCCO2)CC1
InChIInChI=1S/C12H23NO/c1-2-4-8-11(7-3-1)12-13-9-5-6-10-14-12/h11-13H,1-10H2
InChIKeyYVGBLMPELDFJFJ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.68
Rot. Bonds1

About 2-cycloheptyl-1,3-oxazepane

2-cycloheptyl-1,3-oxazepane (PubChem CID 175475084) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-cycloheptyl-1,3-oxazepane.

Molecular Properties

Compound Name2-cycloheptyl-1,3-oxazepane
PubChem CID175475084
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-cycloheptyl-1,3-oxazepane
SMILESC1CCCC(C2NCCCCO2)CC1
InChIInChI=1S/C12H23NO/c1-2-4-8-11(7-3-1)12-13-9-5-6-10-14-12/h11-13H,1-10H2
InChIKeyYVGBLMPELDFJFJ-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1,3-oxazepane?
The IUPAC name of 2-cycloheptyl-1,3-oxazepane (CID 175475084) is 2-cycloheptyl-1,3-oxazepane.
What is the SMILES notation for 2-cycloheptyl-1,3-oxazepane?
The canonical SMILES for 2-cycloheptyl-1,3-oxazepane is C1CCCC(C2NCCCCO2)CC1.
What is the InChIKey of 2-cycloheptyl-1,3-oxazepane?
The InChIKey is YVGBLMPELDFJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-4-8-11(7-3-1)12-13-9-5-6-10-14-12/h11-13H,1-10H2.
What are the key properties of 2-cycloheptyl-1,3-oxazepane?
2-cycloheptyl-1,3-oxazepane has a molecular weight of 197.32 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1,3-oxazepane is sourced from PubChem (CID 175475084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).