7-acetyl-4a-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-f]indolizin-9-one

C13H16N2O2 — CID 163647671

IUPAC7-acetyl-4a-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-f]indolizin-9-one
SMILESCC(=O)C1CCC2(C)Cc3cc[nH]c3C(=O)N12
InChIInChI=1S/C13H16N2O2/c1-8(16)10-3-5-13(2)7-9-4-6-14-11(9)12(17)15(10)13/h4,6,10,14H,3,5,7H2,1-2H3
InChIKeyIJQFSNPHKPGUGU-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.52
Rot. Bonds1

About 7-acetyl-4a-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-f]indolizin-9-one

7-acetyl-4a-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-f]indolizin-9-one (PubChem CID 163647671) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 7-acetyl-4a-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-f]indolizin-9-one.

Molecular Properties

Compound Name7-acetyl-4a-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-f]indolizin-9-one
PubChem CID163647671
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name7-acetyl-4a-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-f]indolizin-9-one
SMILESCC(=O)C1CCC2(C)Cc3cc[nH]c3C(=O)N12
InChIInChI=1S/C13H16N2O2/c1-8(16)10-3-5-13(2)7-9-4-6-14-11(9)12(17)15(10)13/h4,6,10,14H,3,5,7H2,1-2H3
InChIKeyIJQFSNPHKPGUGU-UHFFFAOYSA-N
XLogP1.52
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-acetyl-4a-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-f]indolizin-9-one with MolForge

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Related Compounds

7-acetyl-1,4,4a,5,6,7-hexahydropyrrolo[2,3-f]indolizin-9-one
CID 22094412
7-acetyl-4,4a,5,6,7,8-hexahydro-1H-pyrrolo[3,2-b]quinolizin-10-one
CID 54306992
2-methyl-7-oxo-3,6-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
CID 151200997
4-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1H-pyridin-2-one
CID 138379715
5-acetyl-1-methylpyrrolidin-3-one;ethane
CID 142036222
(3aR)-3a-methyl-2-methylidene-3,4-dihydropyrrolo[1,2-a]indol-1-one
CID 162398530
[2-[[(3S,6S,9aS)-9a-methyl-5-oxo-3-[3-(4-oxo-1H-pyridin-2-yl)azetidine-1-carbonyl]-2,3,6,7,8,9-hexahydro-1H-pyrrolo[1,2-a]azepin-6-yl]carbamoyl]-1-benzothiophen-5-yl]methylphosphonic acid
CID 168980546
1-(2,2-dimethyl-3H-indol-1-yl)ethanone
CID 22217727
6,6-dimethyl-1,4,5,7-tetrahydropyrrolo[3,2-c]pyridine
CID 155896448
1-(1,4-dimethylcyclohexyl)pyrrole-2,5-dione
CID 163583484
ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone
CID 145087569
4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 103766238

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-4a-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-f]indolizin-9-one?
The IUPAC name of 7-acetyl-4a-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-f]indolizin-9-one (CID 163647671) is 7-acetyl-4a-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-f]indolizin-9-one.
What is the SMILES notation for 7-acetyl-4a-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-f]indolizin-9-one?
The canonical SMILES for 7-acetyl-4a-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-f]indolizin-9-one is CC(=O)C1CCC2(C)Cc3cc[nH]c3C(=O)N12.
What is the InChIKey of 7-acetyl-4a-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-f]indolizin-9-one?
The InChIKey is IJQFSNPHKPGUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8(16)10-3-5-13(2)7-9-4-6-14-11(9)12(17)15(10)13/h4,6,10,14H,3,5,7H2,1-2H3.
What are the key properties of 7-acetyl-4a-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-f]indolizin-9-one?
7-acetyl-4a-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-f]indolizin-9-one has a molecular weight of 232.28 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-4a-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-f]indolizin-9-one is sourced from PubChem (CID 163647671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).