7-methyl-6-propan-2-yloxyindolizine-5,8-dione

C12H13NO3 — CID 86178271

IUPAC7-methyl-6-propan-2-yloxyindolizine-5,8-dione
SMILESCC1=C(OC(C)C)C(=O)n2cccc2C1=O
InChIInChI=1S/C12H13NO3/c1-7(2)16-11-8(3)10(14)9-5-4-6-13(9)12(11)15/h4-7H,1-3H3
InChIKeyWEVNWFPSPCRGLN-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.02
Rot. Bonds2

About 7-methyl-6-propan-2-yloxyindolizine-5,8-dione

7-methyl-6-propan-2-yloxyindolizine-5,8-dione (PubChem CID 86178271) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 7-methyl-6-propan-2-yloxyindolizine-5,8-dione.

Molecular Properties

Compound Name7-methyl-6-propan-2-yloxyindolizine-5,8-dione
PubChem CID86178271
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name7-methyl-6-propan-2-yloxyindolizine-5,8-dione
SMILESCC1=C(OC(C)C)C(=O)n2cccc2C1=O
InChIInChI=1S/C12H13NO3/c1-7(2)16-11-8(3)10(14)9-5-4-6-13(9)12(11)15/h4-7H,1-3H3
InChIKeyWEVNWFPSPCRGLN-UHFFFAOYSA-N
XLogP2.02
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-propan-2-yloxyindolizine-5,8-dione?
The IUPAC name of 7-methyl-6-propan-2-yloxyindolizine-5,8-dione (CID 86178271) is 7-methyl-6-propan-2-yloxyindolizine-5,8-dione.
What is the SMILES notation for 7-methyl-6-propan-2-yloxyindolizine-5,8-dione?
The canonical SMILES for 7-methyl-6-propan-2-yloxyindolizine-5,8-dione is CC1=C(OC(C)C)C(=O)n2cccc2C1=O.
What is the InChIKey of 7-methyl-6-propan-2-yloxyindolizine-5,8-dione?
The InChIKey is WEVNWFPSPCRGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-7(2)16-11-8(3)10(14)9-5-4-6-13(9)12(11)15/h4-7H,1-3H3.
What are the key properties of 7-methyl-6-propan-2-yloxyindolizine-5,8-dione?
7-methyl-6-propan-2-yloxyindolizine-5,8-dione has a molecular weight of 219.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-propan-2-yloxyindolizine-5,8-dione is sourced from PubChem (CID 86178271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).