1-acetyl-7-(methylamino)-1,2,3,6,7,8a-hexahydroindolizine-5,8-dione

C11H16N2O3 — CID 54364864

IUPAC1-acetyl-7-(methylamino)-1,2,3,6,7,8a-hexahydroindolizine-5,8-dione
SMILESCNC1CC(=O)N2CCC(C(C)=O)C2C1=O
InChIInChI=1S/C11H16N2O3/c1-6(14)7-3-4-13-9(15)5-8(12-2)11(16)10(7)13/h7-8,10,12H,3-5H2,1-2H3
InChIKeyUPBVPRQJYDMQRW-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.65
Rot. Bonds2

About 1-acetyl-7-(methylamino)-1,2,3,6,7,8a-hexahydroindolizine-5,8-dione

1-acetyl-7-(methylamino)-1,2,3,6,7,8a-hexahydroindolizine-5,8-dione (PubChem CID 54364864) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-acetyl-7-(methylamino)-1,2,3,6,7,8a-hexahydroindolizine-5,8-dione.

Molecular Properties

Compound Name1-acetyl-7-(methylamino)-1,2,3,6,7,8a-hexahydroindolizine-5,8-dione
PubChem CID54364864
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-acetyl-7-(methylamino)-1,2,3,6,7,8a-hexahydroindolizine-5,8-dione
SMILESCNC1CC(=O)N2CCC(C(C)=O)C2C1=O
InChIInChI=1S/C11H16N2O3/c1-6(14)7-3-4-13-9(15)5-8(12-2)11(16)10(7)13/h7-8,10,12H,3-5H2,1-2H3
InChIKeyUPBVPRQJYDMQRW-UHFFFAOYSA-N
XLogP-0.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-7-(methylamino)-1,2,3,6,7,8a-hexahydroindolizine-5,8-dione?
The IUPAC name of 1-acetyl-7-(methylamino)-1,2,3,6,7,8a-hexahydroindolizine-5,8-dione (CID 54364864) is 1-acetyl-7-(methylamino)-1,2,3,6,7,8a-hexahydroindolizine-5,8-dione.
What is the SMILES notation for 1-acetyl-7-(methylamino)-1,2,3,6,7,8a-hexahydroindolizine-5,8-dione?
The canonical SMILES for 1-acetyl-7-(methylamino)-1,2,3,6,7,8a-hexahydroindolizine-5,8-dione is CNC1CC(=O)N2CCC(C(C)=O)C2C1=O.
What is the InChIKey of 1-acetyl-7-(methylamino)-1,2,3,6,7,8a-hexahydroindolizine-5,8-dione?
The InChIKey is UPBVPRQJYDMQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-6(14)7-3-4-13-9(15)5-8(12-2)11(16)10(7)13/h7-8,10,12H,3-5H2,1-2H3.
What are the key properties of 1-acetyl-7-(methylamino)-1,2,3,6,7,8a-hexahydroindolizine-5,8-dione?
1-acetyl-7-(methylamino)-1,2,3,6,7,8a-hexahydroindolizine-5,8-dione has a molecular weight of 224.26 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-7-(methylamino)-1,2,3,6,7,8a-hexahydroindolizine-5,8-dione is sourced from PubChem (CID 54364864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).