7-chloro-1-methyl-2-pyrrolidin-3-ylindole

C13H15ClN2 — CID 84627998

IUPAC7-chloro-1-methyl-2-pyrrolidin-3-ylindole
SMILESCn1c(C2CCNC2)cc2cccc(Cl)c21
InChIInChI=1S/C13H15ClN2/c1-16-12(10-5-6-15-8-10)7-9-3-2-4-11(14)13(9)16/h2-4,7,10,15H,5-6,8H2,1H3
InChIKeyNYUYXBJBYVEWGC-UHFFFAOYSA-N
MW234.73 g/mol
LogP2.91
Rot. Bonds1

About 7-chloro-1-methyl-2-pyrrolidin-3-ylindole

7-chloro-1-methyl-2-pyrrolidin-3-ylindole (PubChem CID 84627998) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 7-chloro-1-methyl-2-pyrrolidin-3-ylindole.

Molecular Properties

Compound Name7-chloro-1-methyl-2-pyrrolidin-3-ylindole
PubChem CID84627998
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name7-chloro-1-methyl-2-pyrrolidin-3-ylindole
SMILESCn1c(C2CCNC2)cc2cccc(Cl)c21
InChIInChI=1S/C13H15ClN2/c1-16-12(10-5-6-15-8-10)7-9-3-2-4-11(14)13(9)16/h2-4,7,10,15H,5-6,8H2,1H3
InChIKeyNYUYXBJBYVEWGC-UHFFFAOYSA-N
XLogP2.91
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-2-pyrrolidin-3-ylindole?
The IUPAC name of 7-chloro-1-methyl-2-pyrrolidin-3-ylindole (CID 84627998) is 7-chloro-1-methyl-2-pyrrolidin-3-ylindole.
What is the SMILES notation for 7-chloro-1-methyl-2-pyrrolidin-3-ylindole?
The canonical SMILES for 7-chloro-1-methyl-2-pyrrolidin-3-ylindole is Cn1c(C2CCNC2)cc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-methyl-2-pyrrolidin-3-ylindole?
The InChIKey is NYUYXBJBYVEWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-16-12(10-5-6-15-8-10)7-9-3-2-4-11(14)13(9)16/h2-4,7,10,15H,5-6,8H2,1H3.
What are the key properties of 7-chloro-1-methyl-2-pyrrolidin-3-ylindole?
7-chloro-1-methyl-2-pyrrolidin-3-ylindole has a molecular weight of 234.73 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 7-chloro-1-methyl-2-pyrrolidin-3-ylindole is sourced from PubChem (CID 84627998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).