7-ethoxy-1-methylazepan-2-one

C9H17NO2 — CID 134918271

IUPAC7-ethoxy-1-methylazepan-2-one
SMILESCCOC1CCCCC(=O)N1C
InChIInChI=1S/C9H17NO2/c1-3-12-9-7-5-4-6-8(11)10(9)2/h9H,3-7H2,1-2H3
InChIKeyOYONBNRKEBBOBS-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.38
Rot. Bonds2

About 7-ethoxy-1-methylazepan-2-one

7-ethoxy-1-methylazepan-2-one (PubChem CID 134918271) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 7-ethoxy-1-methylazepan-2-one.

Molecular Properties

Compound Name7-ethoxy-1-methylazepan-2-one
PubChem CID134918271
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name7-ethoxy-1-methylazepan-2-one
SMILESCCOC1CCCCC(=O)N1C
InChIInChI=1S/C9H17NO2/c1-3-12-9-7-5-4-6-8(11)10(9)2/h9H,3-7H2,1-2H3
InChIKeyOYONBNRKEBBOBS-UHFFFAOYSA-N
XLogP1.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-1-methylazepan-2-one?
The IUPAC name of 7-ethoxy-1-methylazepan-2-one (CID 134918271) is 7-ethoxy-1-methylazepan-2-one.
What is the SMILES notation for 7-ethoxy-1-methylazepan-2-one?
The canonical SMILES for 7-ethoxy-1-methylazepan-2-one is CCOC1CCCCC(=O)N1C.
What is the InChIKey of 7-ethoxy-1-methylazepan-2-one?
The InChIKey is OYONBNRKEBBOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-12-9-7-5-4-6-8(11)10(9)2/h9H,3-7H2,1-2H3.
What are the key properties of 7-ethoxy-1-methylazepan-2-one?
7-ethoxy-1-methylazepan-2-one has a molecular weight of 171.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-1-methylazepan-2-one is sourced from PubChem (CID 134918271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).