7-propan-2-yl-1,4-oxazepane

C8H17NO — CID 82594497

IUPAC7-propan-2-yl-1,4-oxazepane
SMILESCC(C)C1CCNCCO1
InChIInChI=1S/C8H17NO/c1-7(2)8-3-4-9-5-6-10-8/h7-9H,3-6H2,1-2H3
InChIKeyXJEXYAXQNDZIKC-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.02
Rot. Bonds1

About 7-propan-2-yl-1,4-oxazepane

7-propan-2-yl-1,4-oxazepane (PubChem CID 82594497) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 7-propan-2-yl-1,4-oxazepane.

Molecular Properties

Compound Name7-propan-2-yl-1,4-oxazepane
PubChem CID82594497
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name7-propan-2-yl-1,4-oxazepane
SMILESCC(C)C1CCNCCO1
InChIInChI=1S/C8H17NO/c1-7(2)8-3-4-9-5-6-10-8/h7-9H,3-6H2,1-2H3
InChIKeyXJEXYAXQNDZIKC-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-1,4-oxazepane?
The IUPAC name of 7-propan-2-yl-1,4-oxazepane (CID 82594497) is 7-propan-2-yl-1,4-oxazepane.
What is the SMILES notation for 7-propan-2-yl-1,4-oxazepane?
The canonical SMILES for 7-propan-2-yl-1,4-oxazepane is CC(C)C1CCNCCO1.
What is the InChIKey of 7-propan-2-yl-1,4-oxazepane?
The InChIKey is XJEXYAXQNDZIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)8-3-4-9-5-6-10-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 7-propan-2-yl-1,4-oxazepane?
7-propan-2-yl-1,4-oxazepane has a molecular weight of 143.23 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-1,4-oxazepane is sourced from PubChem (CID 82594497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).