(1aR,7bS)-4-bromo-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline

C10H10BrN — CID 124676964

IUPAC(1aR,7bS)-4-bromo-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline
SMILESBrc1cccc2c1NC[C@@H]1C[C@H]21
InChIInChI=1S/C10H10BrN/c11-9-3-1-2-7-8-4-6(8)5-12-10(7)9/h1-3,6,8,12H,4-5H2/t6-,8-/m0/s1
InChIKeyPEEUHBCOALDYJS-XPUUQOCRSA-N
MW224.10 g/mol
LogP2.98
Rot. Bonds

About (1aR,7bS)-4-bromo-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline

(1aR,7bS)-4-bromo-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline (PubChem CID 124676964) has the molecular formula C10H10BrN and a molecular weight of 224.10 g/mol. Its IUPAC name is (1aR,7bS)-4-bromo-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline.

Molecular Properties

Compound Name(1aR,7bS)-4-bromo-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline
PubChem CID124676964
Molecular FormulaC10H10BrN
Molecular Weight224.10 g/mol
Exact Mass223.00
IUPAC Name(1aR,7bS)-4-bromo-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline
SMILESBrc1cccc2c1NC[C@@H]1C[C@H]21
InChIInChI=1S/C10H10BrN/c11-9-3-1-2-7-8-4-6(8)5-12-10(7)9/h1-3,6,8,12H,4-5H2/t6-,8-/m0/s1
InChIKeyPEEUHBCOALDYJS-XPUUQOCRSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

15-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2,4,6,8-pentaene
CID 171371673
7-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole
CID 84706366
7-bromo-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986374
(1R,5R,6R)-6-(2-bromophenyl)-3-azabicyclo[3.2.0]heptane
CID 125455003
6-bromo-4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline
CID 169499400
methyl 2-(7-bromo-2,3-dihydro-1H-indol-3-yl)acetate
CID 115050329
6-bromo-3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 115098315
5-bromo-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline
CID 130577854
4,7-dichloro-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline
CID 169499467
(3aR,9bS)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-6-carbonitrile
CID 58645346
3-(1-adamantyl)-7-bromo-1,3-dihydroindol-2-one
CID 106986661
8-bromo-2-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole
CID 83825912

Frequently Asked Questions

What is the IUPAC name of (1aR,7bS)-4-bromo-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline?
The IUPAC name of (1aR,7bS)-4-bromo-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline (CID 124676964) is (1aR,7bS)-4-bromo-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline.
What is the SMILES notation for (1aR,7bS)-4-bromo-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline?
The canonical SMILES for (1aR,7bS)-4-bromo-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline is Brc1cccc2c1NC[C@@H]1C[C@H]21.
What is the InChIKey of (1aR,7bS)-4-bromo-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline?
The InChIKey is PEEUHBCOALDYJS-XPUUQOCRSA-N. The full InChI is InChI=1S/C10H10BrN/c11-9-3-1-2-7-8-4-6(8)5-12-10(7)9/h1-3,6,8,12H,4-5H2/t6-,8-/m0/s1.
What are the key properties of (1aR,7bS)-4-bromo-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline?
(1aR,7bS)-4-bromo-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline has a molecular weight of 224.10 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,7bS)-4-bromo-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline is sourced from PubChem (CID 124676964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).