2,3a-dimethyl-4H-pyrrolo[1,2-a]indol-1-one

C13H13NO — CID 12630190

IUPAC2,3a-dimethyl-4H-pyrrolo[1,2-a]indol-1-one
SMILESCC1=CC2(C)Cc3ccccc3N2C1=O
InChIInChI=1S/C13H13NO/c1-9-7-13(2)8-10-5-3-4-6-11(10)14(13)12(9)15/h3-7H,8H2,1-2H3
InChIKeyWIVGSGGHRDFNAA-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.29
Rot. Bonds

About 2,3a-dimethyl-4H-pyrrolo[1,2-a]indol-1-one

2,3a-dimethyl-4H-pyrrolo[1,2-a]indol-1-one (PubChem CID 12630190) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2,3a-dimethyl-4H-pyrrolo[1,2-a]indol-1-one.

Molecular Properties

Compound Name2,3a-dimethyl-4H-pyrrolo[1,2-a]indol-1-one
PubChem CID12630190
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2,3a-dimethyl-4H-pyrrolo[1,2-a]indol-1-one
SMILESCC1=CC2(C)Cc3ccccc3N2C1=O
InChIInChI=1S/C13H13NO/c1-9-7-13(2)8-10-5-3-4-6-11(10)14(13)12(9)15/h3-7H,8H2,1-2H3
InChIKeyWIVGSGGHRDFNAA-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 22217727
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(3aR)-5',5'-dimethylspiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,2'-cyclohexane]-1',3'-dione
CID 7678233
1,2',2'-trimethylspiro[4H-quinoline-3,4'-cyclohexane]-1',2-dione
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CID 163111380
(3S,10aR)-10a-hydroxy-3-(hydroxymethyl)-2-methyl-3,10-dihydropyrazino[1,2-a]indole-1,4-dione
CID 139583288
1-methyl-2-phenyl-3H-indol-2-amine
CID 57294965
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Frequently Asked Questions

What is the IUPAC name of 2,3a-dimethyl-4H-pyrrolo[1,2-a]indol-1-one?
The IUPAC name of 2,3a-dimethyl-4H-pyrrolo[1,2-a]indol-1-one (CID 12630190) is 2,3a-dimethyl-4H-pyrrolo[1,2-a]indol-1-one.
What is the SMILES notation for 2,3a-dimethyl-4H-pyrrolo[1,2-a]indol-1-one?
The canonical SMILES for 2,3a-dimethyl-4H-pyrrolo[1,2-a]indol-1-one is CC1=CC2(C)Cc3ccccc3N2C1=O.
What is the InChIKey of 2,3a-dimethyl-4H-pyrrolo[1,2-a]indol-1-one?
The InChIKey is WIVGSGGHRDFNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-9-7-13(2)8-10-5-3-4-6-11(10)14(13)12(9)15/h3-7H,8H2,1-2H3.
What are the key properties of 2,3a-dimethyl-4H-pyrrolo[1,2-a]indol-1-one?
2,3a-dimethyl-4H-pyrrolo[1,2-a]indol-1-one has a molecular weight of 199.25 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3a-dimethyl-4H-pyrrolo[1,2-a]indol-1-one is sourced from PubChem (CID 12630190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).