azepan-2-one;methoxymethane

C8H17NO2 — CID 86733033

IUPACazepan-2-one;methoxymethane
SMILESCOC.O=C1CCCCCN1
InChIInChI=1S/C6H11NO.C2H6O/c8-6-4-2-1-3-5-7-6;1-3-2/h1-5H2,(H,7,8);1-2H3
InChIKeyDRYDZZBLLQFTNA-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.94
Rot. Bonds

About azepan-2-one;methoxymethane

azepan-2-one;methoxymethane (PubChem CID 86733033) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is azepan-2-one;methoxymethane.

Molecular Properties

Compound Nameazepan-2-one;methoxymethane
PubChem CID86733033
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameazepan-2-one;methoxymethane
SMILESCOC.O=C1CCCCCN1
InChIInChI=1S/C6H11NO.C2H6O/c8-6-4-2-1-3-5-7-6;1-3-2/h1-5H2,(H,7,8);1-2H3
InChIKeyDRYDZZBLLQFTNA-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azepan-2-one;methoxymethane?
The IUPAC name of azepan-2-one;methoxymethane (CID 86733033) is azepan-2-one;methoxymethane.
What is the SMILES notation for azepan-2-one;methoxymethane?
The canonical SMILES for azepan-2-one;methoxymethane is COC.O=C1CCCCCN1.
What is the InChIKey of azepan-2-one;methoxymethane?
The InChIKey is DRYDZZBLLQFTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C2H6O/c8-6-4-2-1-3-5-7-6;1-3-2/h1-5H2,(H,7,8);1-2H3.
What are the key properties of azepan-2-one;methoxymethane?
azepan-2-one;methoxymethane has a molecular weight of 159.23 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-one;methoxymethane is sourced from PubChem (CID 86733033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).