4-methyl-2,3-dihydropyrrolo[1,2-a]indol-1-one

C12H11NO — CID 13409181

IUPAC4-methyl-2,3-dihydropyrrolo[1,2-a]indol-1-one
SMILESCc1c2n(c3ccccc13)C(=O)CC2
InChIInChI=1S/C12H11NO/c1-8-9-4-2-3-5-11(9)13-10(8)6-7-12(13)14/h2-5H,6-7H2,1H3
InChIKeyOCZTWUVQJVQLNJ-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.54
Rot. Bonds

About 4-methyl-2,3-dihydropyrrolo[1,2-a]indol-1-one

4-methyl-2,3-dihydropyrrolo[1,2-a]indol-1-one (PubChem CID 13409181) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-methyl-2,3-dihydropyrrolo[1,2-a]indol-1-one.

Molecular Properties

Compound Name4-methyl-2,3-dihydropyrrolo[1,2-a]indol-1-one
PubChem CID13409181
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name4-methyl-2,3-dihydropyrrolo[1,2-a]indol-1-one
SMILESCc1c2n(c3ccccc13)C(=O)CC2
InChIInChI=1S/C12H11NO/c1-8-9-4-2-3-5-11(9)13-10(8)6-7-12(13)14/h2-5H,6-7H2,1H3
InChIKeyOCZTWUVQJVQLNJ-UHFFFAOYSA-N
XLogP2.54
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dihydropyrrolo[1,2-a]indol-1-one?
The IUPAC name of 4-methyl-2,3-dihydropyrrolo[1,2-a]indol-1-one (CID 13409181) is 4-methyl-2,3-dihydropyrrolo[1,2-a]indol-1-one.
What is the SMILES notation for 4-methyl-2,3-dihydropyrrolo[1,2-a]indol-1-one?
The canonical SMILES for 4-methyl-2,3-dihydropyrrolo[1,2-a]indol-1-one is Cc1c2n(c3ccccc13)C(=O)CC2.
What is the InChIKey of 4-methyl-2,3-dihydropyrrolo[1,2-a]indol-1-one?
The InChIKey is OCZTWUVQJVQLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-8-9-4-2-3-5-11(9)13-10(8)6-7-12(13)14/h2-5H,6-7H2,1H3.
What are the key properties of 4-methyl-2,3-dihydropyrrolo[1,2-a]indol-1-one?
4-methyl-2,3-dihydropyrrolo[1,2-a]indol-1-one has a molecular weight of 185.23 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dihydropyrrolo[1,2-a]indol-1-one is sourced from PubChem (CID 13409181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).