4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole

C13H15N — CID 134444762

IUPAC4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole
SMILESCCc1c2n(c3ccccc13)CCC2
InChIInChI=1S/C13H15N/c1-2-10-11-6-3-4-7-13(11)14-9-5-8-12(10)14/h3-4,6-7H,2,5,8-9H2,1H3
InChIKeyLZIHIOBIIMOOPL-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.15
Rot. Bonds1

About 4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole

4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole (PubChem CID 134444762) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole.

Molecular Properties

Compound Name4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole
PubChem CID134444762
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole
SMILESCCc1c2n(c3ccccc13)CCC2
InChIInChI=1S/C13H15N/c1-2-10-11-6-3-4-7-13(11)14-9-5-8-12(10)14/h3-4,6-7H,2,5,8-9H2,1H3
InChIKeyLZIHIOBIIMOOPL-UHFFFAOYSA-N
XLogP3.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole?
The IUPAC name of 4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole (CID 134444762) is 4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole.
What is the SMILES notation for 4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole?
The canonical SMILES for 4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole is CCc1c2n(c3ccccc13)CCC2.
What is the InChIKey of 4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole?
The InChIKey is LZIHIOBIIMOOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-2-10-11-6-3-4-7-13(11)14-9-5-8-12(10)14/h3-4,6-7H,2,5,8-9H2,1H3.
What are the key properties of 4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole?
4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole has a molecular weight of 185.27 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole is sourced from PubChem (CID 134444762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).