1-(6-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)propan-1-amine

C14H17BrN2 — CID 173219485

IUPAC1-(6-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)propan-1-amine
SMILESCCC(N)c1c2n(c3ccc(Br)cc13)CCC2
InChIInChI=1S/C14H17BrN2/c1-2-11(16)14-10-8-9(15)5-6-12(10)17-7-3-4-13(14)17/h5-6,8,11H,2-4,7,16H2,1H3
InChIKeyBMOQVLNKLAFMDS-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.76
Rot. Bonds2

About 1-(6-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)propan-1-amine

1-(6-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)propan-1-amine (PubChem CID 173219485) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 1-(6-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(6-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)propan-1-amine
PubChem CID173219485
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name1-(6-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)propan-1-amine
SMILESCCC(N)c1c2n(c3ccc(Br)cc13)CCC2
InChIInChI=1S/C14H17BrN2/c1-2-11(16)14-10-8-9(15)5-6-12(10)17-7-3-4-13(14)17/h5-6,8,11H,2-4,7,16H2,1H3
InChIKeyBMOQVLNKLAFMDS-UHFFFAOYSA-N
XLogP3.76
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)propan-1-amine?
The IUPAC name of 1-(6-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)propan-1-amine (CID 173219485) is 1-(6-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(6-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)propan-1-amine?
The canonical SMILES for 1-(6-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)propan-1-amine is CCC(N)c1c2n(c3ccc(Br)cc13)CCC2.
What is the InChIKey of 1-(6-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)propan-1-amine?
The InChIKey is BMOQVLNKLAFMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-2-11(16)14-10-8-9(15)5-6-12(10)17-7-3-4-13(14)17/h5-6,8,11H,2-4,7,16H2,1H3.
What are the key properties of 1-(6-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)propan-1-amine?
1-(6-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)propan-1-amine has a molecular weight of 293.21 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)propan-1-amine is sourced from PubChem (CID 173219485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).