6-chloro-1,7-dimethyl-2-pyrrolidin-3-ylindole

C14H17ClN2 — CID 84633378

IUPAC6-chloro-1,7-dimethyl-2-pyrrolidin-3-ylindole
SMILESCc1c(Cl)ccc2cc(C3CCNC3)n(C)c12
InChIInChI=1S/C14H17ClN2/c1-9-12(15)4-3-10-7-13(17(2)14(9)10)11-5-6-16-8-11/h3-4,7,11,16H,5-6,8H2,1-2H3
InChIKeyGWAQPPMLVKBSPA-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.22
Rot. Bonds1

About 6-chloro-1,7-dimethyl-2-pyrrolidin-3-ylindole

6-chloro-1,7-dimethyl-2-pyrrolidin-3-ylindole (PubChem CID 84633378) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 6-chloro-1,7-dimethyl-2-pyrrolidin-3-ylindole.

Molecular Properties

Compound Name6-chloro-1,7-dimethyl-2-pyrrolidin-3-ylindole
PubChem CID84633378
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name6-chloro-1,7-dimethyl-2-pyrrolidin-3-ylindole
SMILESCc1c(Cl)ccc2cc(C3CCNC3)n(C)c12
InChIInChI=1S/C14H17ClN2/c1-9-12(15)4-3-10-7-13(17(2)14(9)10)11-5-6-16-8-11/h3-4,7,11,16H,5-6,8H2,1-2H3
InChIKeyGWAQPPMLVKBSPA-UHFFFAOYSA-N
XLogP3.22
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,7-dimethyl-2-pyrrolidin-3-ylindole?
The IUPAC name of 6-chloro-1,7-dimethyl-2-pyrrolidin-3-ylindole (CID 84633378) is 6-chloro-1,7-dimethyl-2-pyrrolidin-3-ylindole.
What is the SMILES notation for 6-chloro-1,7-dimethyl-2-pyrrolidin-3-ylindole?
The canonical SMILES for 6-chloro-1,7-dimethyl-2-pyrrolidin-3-ylindole is Cc1c(Cl)ccc2cc(C3CCNC3)n(C)c12.
What is the InChIKey of 6-chloro-1,7-dimethyl-2-pyrrolidin-3-ylindole?
The InChIKey is GWAQPPMLVKBSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-9-12(15)4-3-10-7-13(17(2)14(9)10)11-5-6-16-8-11/h3-4,7,11,16H,5-6,8H2,1-2H3.
What are the key properties of 6-chloro-1,7-dimethyl-2-pyrrolidin-3-ylindole?
6-chloro-1,7-dimethyl-2-pyrrolidin-3-ylindole has a molecular weight of 248.76 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,7-dimethyl-2-pyrrolidin-3-ylindole is sourced from PubChem (CID 84633378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).