2,7-dimethyl-6,7-dihydro-5H-indolizin-8-one

C10H13NO — CID 123332519

IUPAC2,7-dimethyl-6,7-dihydro-5H-indolizin-8-one
SMILESCc1cc2n(c1)CCC(C)C2=O
InChIInChI=1S/C10H13NO/c1-7-5-9-10(12)8(2)3-4-11(9)6-7/h5-6,8H,3-4H2,1-2H3
InChIKeyWKWIMEPGUDEUHY-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.02
Rot. Bonds

About 2,7-dimethyl-6,7-dihydro-5H-indolizin-8-one

2,7-dimethyl-6,7-dihydro-5H-indolizin-8-one (PubChem CID 123332519) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2,7-dimethyl-6,7-dihydro-5H-indolizin-8-one.

Molecular Properties

Compound Name2,7-dimethyl-6,7-dihydro-5H-indolizin-8-one
PubChem CID123332519
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2,7-dimethyl-6,7-dihydro-5H-indolizin-8-one
SMILESCc1cc2n(c1)CCC(C)C2=O
InChIInChI=1S/C10H13NO/c1-7-5-9-10(12)8(2)3-4-11(9)6-7/h5-6,8H,3-4H2,1-2H3
InChIKeyWKWIMEPGUDEUHY-UHFFFAOYSA-N
XLogP2.02
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1,3-dihydropyrrolizin-2-one
CID 153280020
(3S)-8-bromo-3-methyl-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-1-one;sulfane
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1,3-dimethylpyrrolidin-2-one;methane;1,4-xylene
CID 159349569
1-(4-fluoro-3,5-dimethylphenyl)-3-methylpyrrolidin-2-one
CID 170055626
2-bromo-7-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 164903511
2,7-dimethyl-2,3,4,5,6,7-hexahydroanthracene-1,8-dione
CID 143073531
(3S)-3,7-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 143883663
1-methyl-3-(4-methylpyrazol-1-yl)pyrrolidin-2-one
CID 142557104
1,3-dimethylpyrrolidin-2-one;ethane
CID 142056309
(3R)-1-iodo-3-methylpyrrolidin-2-one
CID 144527785
(3S)-1,3-dimethylpyrrolidin-2-one;ethane
CID 144550831
(3S)-1-cyclohexyl-3-methylpyrrolidin-2-one
CID 143051215

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-6,7-dihydro-5H-indolizin-8-one?
The IUPAC name of 2,7-dimethyl-6,7-dihydro-5H-indolizin-8-one (CID 123332519) is 2,7-dimethyl-6,7-dihydro-5H-indolizin-8-one.
What is the SMILES notation for 2,7-dimethyl-6,7-dihydro-5H-indolizin-8-one?
The canonical SMILES for 2,7-dimethyl-6,7-dihydro-5H-indolizin-8-one is Cc1cc2n(c1)CCC(C)C2=O.
What is the InChIKey of 2,7-dimethyl-6,7-dihydro-5H-indolizin-8-one?
The InChIKey is WKWIMEPGUDEUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-5-9-10(12)8(2)3-4-11(9)6-7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 2,7-dimethyl-6,7-dihydro-5H-indolizin-8-one?
2,7-dimethyl-6,7-dihydro-5H-indolizin-8-one has a molecular weight of 163.22 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-6,7-dihydro-5H-indolizin-8-one is sourced from PubChem (CID 123332519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).