4-prop-2-enyl-1,4-oxazepan-7-one

C8H13NO2 — CID 101089025

IUPAC4-prop-2-enyl-1,4-oxazepan-7-one
SMILESC=CCN1CCOC(=O)CC1
InChIInChI=1S/C8H13NO2/c1-2-4-9-5-3-8(10)11-7-6-9/h2H,1,3-7H2
InChIKeyDMZUBWASLAQXDG-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.42
Rot. Bonds2

About 4-prop-2-enyl-1,4-oxazepan-7-one

4-prop-2-enyl-1,4-oxazepan-7-one (PubChem CID 101089025) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-prop-2-enyl-1,4-oxazepan-7-one.

Molecular Properties

Compound Name4-prop-2-enyl-1,4-oxazepan-7-one
PubChem CID101089025
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-prop-2-enyl-1,4-oxazepan-7-one
SMILESC=CCN1CCOC(=O)CC1
InChIInChI=1S/C8H13NO2/c1-2-4-9-5-3-8(10)11-7-6-9/h2H,1,3-7H2
InChIKeyDMZUBWASLAQXDG-UHFFFAOYSA-N
XLogP0.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-1,4-oxazepan-7-one?
The IUPAC name of 4-prop-2-enyl-1,4-oxazepan-7-one (CID 101089025) is 4-prop-2-enyl-1,4-oxazepan-7-one.
What is the SMILES notation for 4-prop-2-enyl-1,4-oxazepan-7-one?
The canonical SMILES for 4-prop-2-enyl-1,4-oxazepan-7-one is C=CCN1CCOC(=O)CC1.
What is the InChIKey of 4-prop-2-enyl-1,4-oxazepan-7-one?
The InChIKey is DMZUBWASLAQXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-4-9-5-3-8(10)11-7-6-9/h2H,1,3-7H2.
What are the key properties of 4-prop-2-enyl-1,4-oxazepan-7-one?
4-prop-2-enyl-1,4-oxazepan-7-one has a molecular weight of 155.20 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-1,4-oxazepan-7-one is sourced from PubChem (CID 101089025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).