5-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol

C11H10BrNO — CID 115046881

IUPAC5-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol
SMILESOC1CCn2c1cc1c(Br)cccc12
InChIInChI=1S/C11H10BrNO/c12-8-2-1-3-9-7(8)6-10-11(14)4-5-13(9)10/h1-3,6,11,14H,4-5H2
InChIKeyVTLLBQMLUMCSJF-UHFFFAOYSA-N
MW252.11 g/mol
LogP2.84
Rot. Bonds

About 5-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol

5-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol (PubChem CID 115046881) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 5-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol.

Molecular Properties

Compound Name5-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol
PubChem CID115046881
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name5-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol
SMILESOC1CCn2c1cc1c(Br)cccc12
InChIInChI=1S/C11H10BrNO/c12-8-2-1-3-9-7(8)6-10-11(14)4-5-13(9)10/h1-3,6,11,14H,4-5H2
InChIKeyVTLLBQMLUMCSJF-UHFFFAOYSA-N
XLogP2.84
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,7,8,9-tetrahydropyrido[1,2-a]indole-1,9-diol
CID 115022934
5-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-carboxylic acid
CID 105470701
9-bromo-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
CID 82382410
1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine
CID 105456213
3-(4-bromo-1-cyclopropylindol-2-yl)propan-1-amine
CID 115053082
5-bromo-3-cyclopropyl-2-methylisoquinolin-1-one
CID 82378712
1-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine
CID 105476885
(1S)-7-bromo-2,3-dihydro-1H-inden-1-ol
CID 129246818
8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-1-ol
CID 105469892
(3R,4S)-4-(4-bromoindol-1-yl)-3-fluoropiperidine-1-carboxylic acid
CID 170165701
(3R)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 776133
5-bromo-2-cyclopropyl-3-methylisoquinolin-1-one
CID 82378708

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol?
The IUPAC name of 5-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol (CID 115046881) is 5-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol.
What is the SMILES notation for 5-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol?
The canonical SMILES for 5-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol is OC1CCn2c1cc1c(Br)cccc12.
What is the InChIKey of 5-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol?
The InChIKey is VTLLBQMLUMCSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c12-8-2-1-3-9-7(8)6-10-11(14)4-5-13(9)10/h1-3,6,11,14H,4-5H2.
What are the key properties of 5-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol?
5-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol has a molecular weight of 252.11 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol is sourced from PubChem (CID 115046881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).