1-[(4-chlorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylindole

C20H21ClN2 — CID 67984744

IUPAC1-[(4-chlorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylindole
SMILESCc1cc2cc(N3CCCC3)ccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2/c1-15-12-17-13-19(22-10-2-3-11-22)8-9-20(17)23(15)14-16-4-6-18(21)7-5-16/h4-9,12-13H,2-3,10-11,14H2,1H3
InChIKeyMOEVFEFAUAVAKN-UHFFFAOYSA-N
MW324.86 g/mol
LogP5.25
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylindole

1-[(4-chlorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylindole (PubChem CID 67984744) has the molecular formula C20H21ClN2 and a molecular weight of 324.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylindole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylindole
PubChem CID67984744
Molecular FormulaC20H21ClN2
Molecular Weight324.86 g/mol
Exact Mass324.14
IUPAC Name1-[(4-chlorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylindole
SMILESCc1cc2cc(N3CCCC3)ccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2/c1-15-12-17-13-19(22-10-2-3-11-22)8-9-20(17)23(15)14-16-4-6-18(21)7-5-16/h4-9,12-13H,2-3,10-11,14H2,1H3
InChIKeyMOEVFEFAUAVAKN-UHFFFAOYSA-N
XLogP5.25
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.86
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylindole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylindole (CID 67984744) is 1-[(4-chlorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylindole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylindole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylindole is Cc1cc2cc(N3CCCC3)ccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylindole?
The InChIKey is MOEVFEFAUAVAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2/c1-15-12-17-13-19(22-10-2-3-11-22)8-9-20(17)23(15)14-16-4-6-18(21)7-5-16/h4-9,12-13H,2-3,10-11,14H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylindole?
1-[(4-chlorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylindole has a molecular weight of 324.86 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylindole is sourced from PubChem (CID 67984744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).