7-ethyl-1-methyl-6-propan-2-ylazepan-2-one

C12H23NO — CID 155200892

IUPAC7-ethyl-1-methyl-6-propan-2-ylazepan-2-one
SMILESCCC1C(C(C)C)CCCC(=O)N1C
InChIInChI=1S/C12H23NO/c1-5-11-10(9(2)3)7-6-8-12(14)13(11)4/h9-11H,5-8H2,1-4H3
InChIKeyJRRKQMJRLVBHAO-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.68
Rot. Bonds2

About 7-ethyl-1-methyl-6-propan-2-ylazepan-2-one

7-ethyl-1-methyl-6-propan-2-ylazepan-2-one (PubChem CID 155200892) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 7-ethyl-1-methyl-6-propan-2-ylazepan-2-one.

Molecular Properties

Compound Name7-ethyl-1-methyl-6-propan-2-ylazepan-2-one
PubChem CID155200892
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name7-ethyl-1-methyl-6-propan-2-ylazepan-2-one
SMILESCCC1C(C(C)C)CCCC(=O)N1C
InChIInChI=1S/C12H23NO/c1-5-11-10(9(2)3)7-6-8-12(14)13(11)4/h9-11H,5-8H2,1-4H3
InChIKeyJRRKQMJRLVBHAO-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-methyl-6-propan-2-ylazepan-2-one?
The IUPAC name of 7-ethyl-1-methyl-6-propan-2-ylazepan-2-one (CID 155200892) is 7-ethyl-1-methyl-6-propan-2-ylazepan-2-one.
What is the SMILES notation for 7-ethyl-1-methyl-6-propan-2-ylazepan-2-one?
The canonical SMILES for 7-ethyl-1-methyl-6-propan-2-ylazepan-2-one is CCC1C(C(C)C)CCCC(=O)N1C.
What is the InChIKey of 7-ethyl-1-methyl-6-propan-2-ylazepan-2-one?
The InChIKey is JRRKQMJRLVBHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-11-10(9(2)3)7-6-8-12(14)13(11)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 7-ethyl-1-methyl-6-propan-2-ylazepan-2-one?
7-ethyl-1-methyl-6-propan-2-ylazepan-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-methyl-6-propan-2-ylazepan-2-one is sourced from PubChem (CID 155200892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).