1-pyrrolidin-1-ylindole

C12H14N2 — CID 19365073

IUPAC1-pyrrolidin-1-ylindole
SMILESc1ccc2c(c1)ccn2N1CCCC1
InChIInChI=1S/C12H14N2/c1-2-6-12-11(5-1)7-10-14(12)13-8-3-4-9-13/h1-2,5-7,10H,3-4,8-9H2
InChIKeyIQTHVFBDXFXODR-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.37
Rot. Bonds1

About 1-pyrrolidin-1-ylindole

1-pyrrolidin-1-ylindole (PubChem CID 19365073) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylindole.

Molecular Properties

Compound Name1-pyrrolidin-1-ylindole
PubChem CID19365073
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-pyrrolidin-1-ylindole
SMILESc1ccc2c(c1)ccn2N1CCCC1
InChIInChI=1S/C12H14N2/c1-2-6-12-11(5-1)7-10-14(12)13-8-3-4-9-13/h1-2,5-7,10H,3-4,8-9H2
InChIKeyIQTHVFBDXFXODR-UHFFFAOYSA-N
XLogP2.37
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylindole?
The IUPAC name of 1-pyrrolidin-1-ylindole (CID 19365073) is 1-pyrrolidin-1-ylindole.
What is the SMILES notation for 1-pyrrolidin-1-ylindole?
The canonical SMILES for 1-pyrrolidin-1-ylindole is c1ccc2c(c1)ccn2N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-ylindole?
The InChIKey is IQTHVFBDXFXODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-6-12-11(5-1)7-10-14(12)13-8-3-4-9-13/h1-2,5-7,10H,3-4,8-9H2.
What are the key properties of 1-pyrrolidin-1-ylindole?
1-pyrrolidin-1-ylindole has a molecular weight of 186.26 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylindole is sourced from PubChem (CID 19365073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).