(1R)-8-bromo-5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-amine

C11H9BrCl2N2 — CID 170426532

IUPAC(1R)-8-bromo-5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-amine
SMILESN[C@H]1CCc2cc3c(Cl)c(Cl)cc(Br)c3n21
InChIInChI=1S/C11H9BrCl2N2/c12-7-4-8(13)10(14)6-3-5-1-2-9(15)16(5)11(6)7/h3-4,9H,1-2,15H2/t9-/m1/s1
InChIKeyFUWMMYVQYCMXLC-SECBINFHSA-N
MW320.02 g/mol
LogP4.11
Rot. Bonds

About (1R)-8-bromo-5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-amine

(1R)-8-bromo-5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-amine (PubChem CID 170426532) has the molecular formula C11H9BrCl2N2 and a molecular weight of 320.02 g/mol. Its IUPAC name is (1R)-8-bromo-5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-amine.

Molecular Properties

Compound Name(1R)-8-bromo-5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-amine
PubChem CID170426532
Molecular FormulaC11H9BrCl2N2
Molecular Weight320.02 g/mol
Exact Mass317.93
IUPAC Name(1R)-8-bromo-5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-amine
SMILESN[C@H]1CCc2cc3c(Cl)c(Cl)cc(Br)c3n21
InChIInChI=1S/C11H9BrCl2N2/c12-7-4-8(13)10(14)6-3-5-1-2-9(15)16(5)11(6)7/h3-4,9H,1-2,15H2/t9-/m1/s1
InChIKeyFUWMMYVQYCMXLC-SECBINFHSA-N
XLogP4.11
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.02
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-8-bromo-5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-amine?
The IUPAC name of (1R)-8-bromo-5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-amine (CID 170426532) is (1R)-8-bromo-5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-amine.
What is the SMILES notation for (1R)-8-bromo-5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-amine?
The canonical SMILES for (1R)-8-bromo-5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-amine is N[C@H]1CCc2cc3c(Cl)c(Cl)cc(Br)c3n21.
What is the InChIKey of (1R)-8-bromo-5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-amine?
The InChIKey is FUWMMYVQYCMXLC-SECBINFHSA-N. The full InChI is InChI=1S/C11H9BrCl2N2/c12-7-4-8(13)10(14)6-3-5-1-2-9(15)16(5)11(6)7/h3-4,9H,1-2,15H2/t9-/m1/s1.
What are the key properties of (1R)-8-bromo-5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-amine?
(1R)-8-bromo-5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-amine has a molecular weight of 320.02 g/mol, XLogP of 4.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-8-bromo-5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-amine is sourced from PubChem (CID 170426532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).