2-methyl-1-(4-pyrrolidin-1-ylbutyl)indole

C17H24N2 — CID 19829805

IUPAC2-methyl-1-(4-pyrrolidin-1-ylbutyl)indole
SMILESCc1cc2ccccc2n1CCCCN1CCCC1
InChIInChI=1S/C17H24N2/c1-15-14-16-8-2-3-9-17(16)19(15)13-7-6-12-18-10-4-5-11-18/h2-3,8-9,14H,4-7,10-13H2,1H3
InChIKeyYGNOZHWNGYTFAC-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.83
Rot. Bonds5

About 2-methyl-1-(4-pyrrolidin-1-ylbutyl)indole

2-methyl-1-(4-pyrrolidin-1-ylbutyl)indole (PubChem CID 19829805) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-methyl-1-(4-pyrrolidin-1-ylbutyl)indole.

Molecular Properties

Compound Name2-methyl-1-(4-pyrrolidin-1-ylbutyl)indole
PubChem CID19829805
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-methyl-1-(4-pyrrolidin-1-ylbutyl)indole
SMILESCc1cc2ccccc2n1CCCCN1CCCC1
InChIInChI=1S/C17H24N2/c1-15-14-16-8-2-3-9-17(16)19(15)13-7-6-12-18-10-4-5-11-18/h2-3,8-9,14H,4-7,10-13H2,1H3
InChIKeyYGNOZHWNGYTFAC-UHFFFAOYSA-N
XLogP3.83
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-pyrrolidin-1-ylbutyl)indole?
The IUPAC name of 2-methyl-1-(4-pyrrolidin-1-ylbutyl)indole (CID 19829805) is 2-methyl-1-(4-pyrrolidin-1-ylbutyl)indole.
What is the SMILES notation for 2-methyl-1-(4-pyrrolidin-1-ylbutyl)indole?
The canonical SMILES for 2-methyl-1-(4-pyrrolidin-1-ylbutyl)indole is Cc1cc2ccccc2n1CCCCN1CCCC1.
What is the InChIKey of 2-methyl-1-(4-pyrrolidin-1-ylbutyl)indole?
The InChIKey is YGNOZHWNGYTFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-15-14-16-8-2-3-9-17(16)19(15)13-7-6-12-18-10-4-5-11-18/h2-3,8-9,14H,4-7,10-13H2,1H3.
What are the key properties of 2-methyl-1-(4-pyrrolidin-1-ylbutyl)indole?
2-methyl-1-(4-pyrrolidin-1-ylbutyl)indole has a molecular weight of 256.39 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-pyrrolidin-1-ylbutyl)indole is sourced from PubChem (CID 19829805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).