1-benzyl-2-pyrrolidin-2-ylindole

C19H20N2 — CID 15920765

IUPAC1-benzyl-2-pyrrolidin-2-ylindole
SMILESc1ccc(Cn2c(C3CCCN3)cc3ccccc32)cc1
InChIInChI=1S/C19H20N2/c1-2-7-15(8-3-1)14-21-18-11-5-4-9-16(18)13-19(21)17-10-6-12-20-17/h1-5,7-9,11,13,17,20H,6,10,12,14H2
InChIKeyAHIQDRBRJZKJCM-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.11
Rot. Bonds3

About 1-benzyl-2-pyrrolidin-2-ylindole

1-benzyl-2-pyrrolidin-2-ylindole (PubChem CID 15920765) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-benzyl-2-pyrrolidin-2-ylindole.

Molecular Properties

Compound Name1-benzyl-2-pyrrolidin-2-ylindole
PubChem CID15920765
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name1-benzyl-2-pyrrolidin-2-ylindole
SMILESc1ccc(Cn2c(C3CCCN3)cc3ccccc32)cc1
InChIInChI=1S/C19H20N2/c1-2-7-15(8-3-1)14-21-18-11-5-4-9-16(18)13-19(21)17-10-6-12-20-17/h1-5,7-9,11,13,17,20H,6,10,12,14H2
InChIKeyAHIQDRBRJZKJCM-UHFFFAOYSA-N
XLogP4.11
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-pyrrolidin-2-ylindole?
The IUPAC name of 1-benzyl-2-pyrrolidin-2-ylindole (CID 15920765) is 1-benzyl-2-pyrrolidin-2-ylindole.
What is the SMILES notation for 1-benzyl-2-pyrrolidin-2-ylindole?
The canonical SMILES for 1-benzyl-2-pyrrolidin-2-ylindole is c1ccc(Cn2c(C3CCCN3)cc3ccccc32)cc1.
What is the InChIKey of 1-benzyl-2-pyrrolidin-2-ylindole?
The InChIKey is AHIQDRBRJZKJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-2-7-15(8-3-1)14-21-18-11-5-4-9-16(18)13-19(21)17-10-6-12-20-17/h1-5,7-9,11,13,17,20H,6,10,12,14H2.
What are the key properties of 1-benzyl-2-pyrrolidin-2-ylindole?
1-benzyl-2-pyrrolidin-2-ylindole has a molecular weight of 276.38 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-pyrrolidin-2-ylindole is sourced from PubChem (CID 15920765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).