3-nonyloxazepine

C14H23NO — CID 174791758

IUPAC3-nonyloxazepine
SMILESCCCCCCCCCC1=NOC=CC=C1
InChIInChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-16-15-14/h9-10,12-13H,2-8,11H2,1H3
InChIKeyPWZPCHPUFLNZJS-UHFFFAOYSA-N
MW221.34 g/mol
LogP4.58
Rot. Bonds8

About 3-nonyloxazepine

3-nonyloxazepine (PubChem CID 174791758) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-nonyloxazepine.

Molecular Properties

Compound Name3-nonyloxazepine
PubChem CID174791758
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-nonyloxazepine
SMILESCCCCCCCCCC1=NOC=CC=C1
InChIInChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-16-15-14/h9-10,12-13H,2-8,11H2,1H3
InChIKeyPWZPCHPUFLNZJS-UHFFFAOYSA-N
XLogP4.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-nonyloxazepine?
The IUPAC name of 3-nonyloxazepine (CID 174791758) is 3-nonyloxazepine.
What is the SMILES notation for 3-nonyloxazepine?
The canonical SMILES for 3-nonyloxazepine is CCCCCCCCCC1=NOC=CC=C1.
What is the InChIKey of 3-nonyloxazepine?
The InChIKey is PWZPCHPUFLNZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-16-15-14/h9-10,12-13H,2-8,11H2,1H3.
What are the key properties of 3-nonyloxazepine?
3-nonyloxazepine has a molecular weight of 221.34 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nonyloxazepine is sourced from PubChem (CID 174791758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).