6-chloro-5-pyrrolidin-1-yl-2,3-dihydro-1H-indole

C12H15ClN2 — CID 82392082

IUPAC6-chloro-5-pyrrolidin-1-yl-2,3-dihydro-1H-indole
SMILESClc1cc2c(cc1N1CCCC1)CCN2
InChIInChI=1S/C12H15ClN2/c13-10-8-11-9(3-4-14-11)7-12(10)15-5-1-2-6-15/h7-8,14H,1-6H2
InChIKeyJYJQYIVZQNBRGG-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.91
Rot. Bonds1

About 6-chloro-5-pyrrolidin-1-yl-2,3-dihydro-1H-indole

6-chloro-5-pyrrolidin-1-yl-2,3-dihydro-1H-indole (PubChem CID 82392082) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 6-chloro-5-pyrrolidin-1-yl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-chloro-5-pyrrolidin-1-yl-2,3-dihydro-1H-indole
PubChem CID82392082
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name6-chloro-5-pyrrolidin-1-yl-2,3-dihydro-1H-indole
SMILESClc1cc2c(cc1N1CCCC1)CCN2
InChIInChI=1S/C12H15ClN2/c13-10-8-11-9(3-4-14-11)7-12(10)15-5-1-2-6-15/h7-8,14H,1-6H2
InChIKeyJYJQYIVZQNBRGG-UHFFFAOYSA-N
XLogP2.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-pyrrolidin-1-yl-2,3-dihydro-1H-indole?
The IUPAC name of 6-chloro-5-pyrrolidin-1-yl-2,3-dihydro-1H-indole (CID 82392082) is 6-chloro-5-pyrrolidin-1-yl-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-chloro-5-pyrrolidin-1-yl-2,3-dihydro-1H-indole?
The canonical SMILES for 6-chloro-5-pyrrolidin-1-yl-2,3-dihydro-1H-indole is Clc1cc2c(cc1N1CCCC1)CCN2.
What is the InChIKey of 6-chloro-5-pyrrolidin-1-yl-2,3-dihydro-1H-indole?
The InChIKey is JYJQYIVZQNBRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c13-10-8-11-9(3-4-14-11)7-12(10)15-5-1-2-6-15/h7-8,14H,1-6H2.
What are the key properties of 6-chloro-5-pyrrolidin-1-yl-2,3-dihydro-1H-indole?
6-chloro-5-pyrrolidin-1-yl-2,3-dihydro-1H-indole has a molecular weight of 222.72 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-pyrrolidin-1-yl-2,3-dihydro-1H-indole is sourced from PubChem (CID 82392082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).