3-ethyl-1,3-oxazepan-2-one;propane

C10H21NO2 — CID 155722294

IUPAC3-ethyl-1,3-oxazepan-2-one;propane
SMILESCCC.CCN1CCCCOC1=O
InChIInChI=1S/C7H13NO2.C3H8/c1-2-8-5-3-4-6-10-7(8)9;1-3-2/h2-6H2,1H3;3H2,1-2H3
InChIKeySLFYXBHBLQZLPV-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.65
Rot. Bonds1

About 3-ethyl-1,3-oxazepan-2-one;propane

3-ethyl-1,3-oxazepan-2-one;propane (PubChem CID 155722294) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-ethyl-1,3-oxazepan-2-one;propane.

Molecular Properties

Compound Name3-ethyl-1,3-oxazepan-2-one;propane
PubChem CID155722294
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-ethyl-1,3-oxazepan-2-one;propane
SMILESCCC.CCN1CCCCOC1=O
InChIInChI=1S/C7H13NO2.C3H8/c1-2-8-5-3-4-6-10-7(8)9;1-3-2/h2-6H2,1H3;3H2,1-2H3
InChIKeySLFYXBHBLQZLPV-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,3-oxazepan-2-one;propane?
The IUPAC name of 3-ethyl-1,3-oxazepan-2-one;propane (CID 155722294) is 3-ethyl-1,3-oxazepan-2-one;propane.
What is the SMILES notation for 3-ethyl-1,3-oxazepan-2-one;propane?
The canonical SMILES for 3-ethyl-1,3-oxazepan-2-one;propane is CCC.CCN1CCCCOC1=O.
What is the InChIKey of 3-ethyl-1,3-oxazepan-2-one;propane?
The InChIKey is SLFYXBHBLQZLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C3H8/c1-2-8-5-3-4-6-10-7(8)9;1-3-2/h2-6H2,1H3;3H2,1-2H3.
What are the key properties of 3-ethyl-1,3-oxazepan-2-one;propane?
3-ethyl-1,3-oxazepan-2-one;propane has a molecular weight of 187.28 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,3-oxazepan-2-one;propane is sourced from PubChem (CID 155722294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).