bromo 2,3-dihydroindole-1-carboxylate

C9H8BrNO2 — CID 140683815

IUPACbromo 2,3-dihydroindole-1-carboxylate
SMILESO=C(OBr)N1CCc2ccccc21
InChIInChI=1S/C9H8BrNO2/c10-13-9(12)11-6-5-7-3-1-2-4-8(7)11/h1-4H,5-6H2
InChIKeyBIPZYJUVEKJKEB-UHFFFAOYSA-N
MW242.07 g/mol
LogP2.50
Rot. Bonds

About bromo 2,3-dihydroindole-1-carboxylate

bromo 2,3-dihydroindole-1-carboxylate (PubChem CID 140683815) has the molecular formula C9H8BrNO2 and a molecular weight of 242.07 g/mol. Its IUPAC name is bromo 2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Namebromo 2,3-dihydroindole-1-carboxylate
PubChem CID140683815
Molecular FormulaC9H8BrNO2
Molecular Weight242.07 g/mol
Exact Mass240.97
IUPAC Namebromo 2,3-dihydroindole-1-carboxylate
SMILESO=C(OBr)N1CCc2ccccc21
InChIInChI=1S/C9H8BrNO2/c10-13-9(12)11-6-5-7-3-1-2-4-8(7)11/h1-4H,5-6H2
InChIKeyBIPZYJUVEKJKEB-UHFFFAOYSA-N
XLogP2.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
3-(2,3-dihydroindol-1-yl)-N-methyl-3-oxo-N-phenylpropanamide
CID 108953153
[4-oxo-4-(4-phenylpiperazin-1-yl)butanoyl] 2,3-dihydroindole-1-carboxylate
CID 101192189
2-(2,3-dihydroindol-1-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 108521001
ethyl 3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxylate
CID 10376695
2,3-dihydroindole-1-carbonyl chloride;trichloromethyl carbonochloridate
CID 159058677
1-(1,2,2-triphenylethenyl)-2,3-dihydroindole
CID 123446002
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
CID 3245732

Frequently Asked Questions

What is the IUPAC name of bromo 2,3-dihydroindole-1-carboxylate?
The IUPAC name of bromo 2,3-dihydroindole-1-carboxylate (CID 140683815) is bromo 2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for bromo 2,3-dihydroindole-1-carboxylate?
The canonical SMILES for bromo 2,3-dihydroindole-1-carboxylate is O=C(OBr)N1CCc2ccccc21.
What is the InChIKey of bromo 2,3-dihydroindole-1-carboxylate?
The InChIKey is BIPZYJUVEKJKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO2/c10-13-9(12)11-6-5-7-3-1-2-4-8(7)11/h1-4H,5-6H2.
What are the key properties of bromo 2,3-dihydroindole-1-carboxylate?
bromo 2,3-dihydroindole-1-carboxylate has a molecular weight of 242.07 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo 2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 140683815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).