5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one

C12H11NO2 — CID 19927834

IUPAC5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one
SMILESCOc1cccc2c1cc1n2CCC1=O
InChIInChI=1S/C12H11NO2/c1-15-12-4-2-3-9-8(12)7-10-11(14)5-6-13(9)10/h2-4,7H,5-6H2,1H3
InChIKeyUGWKVCNCALVVHA-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.24
Rot. Bonds1

About 5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one

5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one (PubChem CID 19927834) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one.

Molecular Properties

Compound Name5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one
PubChem CID19927834
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one
SMILESCOc1cccc2c1cc1n2CCC1=O
InChIInChI=1S/C12H11NO2/c1-15-12-4-2-3-9-8(12)7-10-11(14)5-6-13(9)10/h2-4,7H,5-6H2,1H3
InChIKeyUGWKVCNCALVVHA-UHFFFAOYSA-N
XLogP2.24
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one?
The IUPAC name of 5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one (CID 19927834) is 5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one.
What is the SMILES notation for 5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one?
The canonical SMILES for 5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one is COc1cccc2c1cc1n2CCC1=O.
What is the InChIKey of 5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one?
The InChIKey is UGWKVCNCALVVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-15-12-4-2-3-9-8(12)7-10-11(14)5-6-13(9)10/h2-4,7H,5-6H2,1H3.
What are the key properties of 5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one?
5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one has a molecular weight of 201.23 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one is sourced from PubChem (CID 19927834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).