1,7-dimethyl-3-(pyrrolidin-1-ylmethyl)indole

C15H20N2 — CID 117186191

IUPAC1,7-dimethyl-3-(pyrrolidin-1-ylmethyl)indole
SMILESCc1cccc2c(CN3CCCC3)cn(C)c12
InChIInChI=1S/C15H20N2/c1-12-6-5-7-14-13(10-16(2)15(12)14)11-17-8-3-4-9-17/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeyWUXMNGJIXODXCS-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.08
Rot. Bonds2

About 1,7-dimethyl-3-(pyrrolidin-1-ylmethyl)indole

1,7-dimethyl-3-(pyrrolidin-1-ylmethyl)indole (PubChem CID 117186191) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1,7-dimethyl-3-(pyrrolidin-1-ylmethyl)indole.

Molecular Properties

Compound Name1,7-dimethyl-3-(pyrrolidin-1-ylmethyl)indole
PubChem CID117186191
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1,7-dimethyl-3-(pyrrolidin-1-ylmethyl)indole
SMILESCc1cccc2c(CN3CCCC3)cn(C)c12
InChIInChI=1S/C15H20N2/c1-12-6-5-7-14-13(10-16(2)15(12)14)11-17-8-3-4-9-17/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeyWUXMNGJIXODXCS-UHFFFAOYSA-N
XLogP3.08
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-3-(pyrrolidin-1-ylmethyl)indole?
The IUPAC name of 1,7-dimethyl-3-(pyrrolidin-1-ylmethyl)indole (CID 117186191) is 1,7-dimethyl-3-(pyrrolidin-1-ylmethyl)indole.
What is the SMILES notation for 1,7-dimethyl-3-(pyrrolidin-1-ylmethyl)indole?
The canonical SMILES for 1,7-dimethyl-3-(pyrrolidin-1-ylmethyl)indole is Cc1cccc2c(CN3CCCC3)cn(C)c12.
What is the InChIKey of 1,7-dimethyl-3-(pyrrolidin-1-ylmethyl)indole?
The InChIKey is WUXMNGJIXODXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12-6-5-7-14-13(10-16(2)15(12)14)11-17-8-3-4-9-17/h5-7,10H,3-4,8-9,11H2,1-2H3.
What are the key properties of 1,7-dimethyl-3-(pyrrolidin-1-ylmethyl)indole?
1,7-dimethyl-3-(pyrrolidin-1-ylmethyl)indole has a molecular weight of 228.34 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3-(pyrrolidin-1-ylmethyl)indole is sourced from PubChem (CID 117186191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).