(3aR)-7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline

C12H14BrN — CID 163673039

IUPAC(3aR)-7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline
SMILESBrc1ccc2c(c1)CC[C@@H]1CCCN21
InChIInChI=1S/C12H14BrN/c13-10-4-6-12-9(8-10)3-5-11-2-1-7-14(11)12/h4,6,8,11H,1-3,5,7H2/t11-/m0/s1
InChIKeyJEFRYUZDBDVWCR-NSHDSACASA-N
MW252.15 g/mol
LogP3.36
Rot. Bonds

About (3aR)-7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline

(3aR)-7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline (PubChem CID 163673039) has the molecular formula C12H14BrN and a molecular weight of 252.15 g/mol. Its IUPAC name is (3aR)-7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline.

Molecular Properties

Compound Name(3aR)-7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline
PubChem CID163673039
Molecular FormulaC12H14BrN
Molecular Weight252.15 g/mol
Exact Mass251.03
IUPAC Name(3aR)-7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline
SMILESBrc1ccc2c(c1)CC[C@@H]1CCCN21
InChIInChI=1S/C12H14BrN/c13-10-4-6-12-9(8-10)3-5-11-2-1-7-14(11)12/h4,6,8,11H,1-3,5,7H2/t11-/m0/s1
InChIKeyJEFRYUZDBDVWCR-NSHDSACASA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3aR)-7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline with MolForge

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Related Compounds

6-bromo-1-piperidin-4-yl-3,4-dihydro-2H-quinoline
CID 171525009
7-bromo-1-cyclopentyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82251450
2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
CID 13380222
9-bromo-1,2,3,11,12,12a-hexahydroindolizino[5,6-c]quinoline
CID 144742743
7-bromo-4-nitro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline
CID 142752313
7-bromo-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine
CID 58277899
1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
CID 68987766
(2R)-1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
CID 68930732
(1-cyclopentyl-2,3-dihydroindol-5-yl)methanamine
CID 115115353
(1-cyclobutyl-2,3-dihydroindol-5-yl)methanamine
CID 115115080
4-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-one
CID 117031145
6-bromo-4-cyclohexyl-2,3-dihydro-1H-quinoxaline
CID 117006433

Frequently Asked Questions

What is the IUPAC name of (3aR)-7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline?
The IUPAC name of (3aR)-7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline (CID 163673039) is (3aR)-7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline.
What is the SMILES notation for (3aR)-7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline?
The canonical SMILES for (3aR)-7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline is Brc1ccc2c(c1)CC[C@@H]1CCCN21.
What is the InChIKey of (3aR)-7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline?
The InChIKey is JEFRYUZDBDVWCR-NSHDSACASA-N. The full InChI is InChI=1S/C12H14BrN/c13-10-4-6-12-9(8-10)3-5-11-2-1-7-14(11)12/h4,6,8,11H,1-3,5,7H2/t11-/m0/s1.
What are the key properties of (3aR)-7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline?
(3aR)-7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline has a molecular weight of 252.15 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline is sourced from PubChem (CID 163673039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).