7-propyl-1,4-oxazepane

C8H17NO — CID 165441817

IUPAC7-propyl-1,4-oxazepane
SMILESCCCC1CCNCCO1
InChIInChI=1S/C8H17NO/c1-2-3-8-4-5-9-6-7-10-8/h8-9H,2-7H2,1H3
InChIKeyBNBIOHWXGSDQNL-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.16
Rot. Bonds2

About 7-propyl-1,4-oxazepane

7-propyl-1,4-oxazepane (PubChem CID 165441817) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 7-propyl-1,4-oxazepane.

Molecular Properties

Compound Name7-propyl-1,4-oxazepane
PubChem CID165441817
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name7-propyl-1,4-oxazepane
SMILESCCCC1CCNCCO1
InChIInChI=1S/C8H17NO/c1-2-3-8-4-5-9-6-7-10-8/h8-9H,2-7H2,1H3
InChIKeyBNBIOHWXGSDQNL-UHFFFAOYSA-N
XLogP1.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-propyl-1,4-oxazepane?
The IUPAC name of 7-propyl-1,4-oxazepane (CID 165441817) is 7-propyl-1,4-oxazepane.
What is the SMILES notation for 7-propyl-1,4-oxazepane?
The canonical SMILES for 7-propyl-1,4-oxazepane is CCCC1CCNCCO1.
What is the InChIKey of 7-propyl-1,4-oxazepane?
The InChIKey is BNBIOHWXGSDQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-3-8-4-5-9-6-7-10-8/h8-9H,2-7H2,1H3.
What are the key properties of 7-propyl-1,4-oxazepane?
7-propyl-1,4-oxazepane has a molecular weight of 143.23 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propyl-1,4-oxazepane is sourced from PubChem (CID 165441817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).