5-amino-2-ethyl-3-methylcyclooctane-1,4-dione

C11H19NO2 — CID 173073300

IUPAC5-amino-2-ethyl-3-methylcyclooctane-1,4-dione
SMILESCCC1C(=O)CCCC(N)C(=O)C1C
InChIInChI=1S/C11H19NO2/c1-3-8-7(2)11(14)9(12)5-4-6-10(8)13/h7-9H,3-6,12H2,1-2H3
InChIKeyXQVNUKWOQZTCBV-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.30
Rot. Bonds1

About 5-amino-2-ethyl-3-methylcyclooctane-1,4-dione

5-amino-2-ethyl-3-methylcyclooctane-1,4-dione (PubChem CID 173073300) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 5-amino-2-ethyl-3-methylcyclooctane-1,4-dione.

Molecular Properties

Compound Name5-amino-2-ethyl-3-methylcyclooctane-1,4-dione
PubChem CID173073300
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name5-amino-2-ethyl-3-methylcyclooctane-1,4-dione
SMILESCCC1C(=O)CCCC(N)C(=O)C1C
InChIInChI=1S/C11H19NO2/c1-3-8-7(2)11(14)9(12)5-4-6-10(8)13/h7-9H,3-6,12H2,1-2H3
InChIKeyXQVNUKWOQZTCBV-UHFFFAOYSA-N
XLogP1.30
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-3-methylcyclooctane-1,4-dione?
The IUPAC name of 5-amino-2-ethyl-3-methylcyclooctane-1,4-dione (CID 173073300) is 5-amino-2-ethyl-3-methylcyclooctane-1,4-dione.
What is the SMILES notation for 5-amino-2-ethyl-3-methylcyclooctane-1,4-dione?
The canonical SMILES for 5-amino-2-ethyl-3-methylcyclooctane-1,4-dione is CCC1C(=O)CCCC(N)C(=O)C1C.
What is the InChIKey of 5-amino-2-ethyl-3-methylcyclooctane-1,4-dione?
The InChIKey is XQVNUKWOQZTCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-8-7(2)11(14)9(12)5-4-6-10(8)13/h7-9H,3-6,12H2,1-2H3.
What are the key properties of 5-amino-2-ethyl-3-methylcyclooctane-1,4-dione?
5-amino-2-ethyl-3-methylcyclooctane-1,4-dione has a molecular weight of 197.28 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethyl-3-methylcyclooctane-1,4-dione is sourced from PubChem (CID 173073300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).