2-(2-bromophenyl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole

C11H12BrNO2 — CID 115062551

IUPAC2-(2-bromophenyl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole
SMILESBrc1ccccc1C1OC2CNCC2O1
InChIInChI=1S/C11H12BrNO2/c12-8-4-2-1-3-7(8)11-14-9-5-13-6-10(9)15-11/h1-4,9-11,13H,5-6H2
InChIKeySPNBSBXAKROLKH-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.83
Rot. Bonds1

About 2-(2-bromophenyl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole

2-(2-bromophenyl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole (PubChem CID 115062551) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole.

Molecular Properties

Compound Name2-(2-bromophenyl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole
PubChem CID115062551
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name2-(2-bromophenyl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole
SMILESBrc1ccccc1C1OC2CNCC2O1
InChIInChI=1S/C11H12BrNO2/c12-8-4-2-1-3-7(8)11-14-9-5-13-6-10(9)15-11/h1-4,9-11,13H,5-6H2
InChIKeySPNBSBXAKROLKH-UHFFFAOYSA-N
XLogP1.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridine
CID 115062579
5-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 82647013
2-(2-bromophenyl)-5-methyl-1,3-oxazolidine
CID 82293279
(1R,5R,6R)-6-(2-bromophenyl)-3-azabicyclo[3.2.0]heptane
CID 125455003
(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261
4-(2-bromophenyl)-1,2-oxazolidine
CID 105485151
(2S)-2-(2-bromophenyl)oxirane
CID 30071402
2-(2-bromophenyl)imidazolidine
CID 10331308
(4R)-4-(2-bromophenyl)-2-azaspiro[4.4]nonane
CID 124670148
2-(2-bromophenyl)-6,6-dimethyl-1,4-oxazepane
CID 115362109
4-(2-bromophenyl)piperidin-3-one
CID 82623287
(2R)-2-(2-bromophenyl)-2,3-dihydro-1H-pyridin-4-one
CID 76764238

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole?
The IUPAC name of 2-(2-bromophenyl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole (CID 115062551) is 2-(2-bromophenyl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole.
What is the SMILES notation for 2-(2-bromophenyl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole?
The canonical SMILES for 2-(2-bromophenyl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole is Brc1ccccc1C1OC2CNCC2O1.
What is the InChIKey of 2-(2-bromophenyl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole?
The InChIKey is SPNBSBXAKROLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-8-4-2-1-3-7(8)11-14-9-5-13-6-10(9)15-11/h1-4,9-11,13H,5-6H2.
What are the key properties of 2-(2-bromophenyl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole?
2-(2-bromophenyl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole has a molecular weight of 270.13 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole is sourced from PubChem (CID 115062551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).