5-[3-(cyclopentyloxymethyl)phenyl]-2-methyl-1H-indole;pyrrolidin-3-ol

C25H32N2O2 — CID 144724522

IUPAC5-[3-(cyclopentyloxymethyl)phenyl]-2-methyl-1H-indole;pyrrolidin-3-ol
SMILESCc1cc2cc(-c3cccc(COC4CCCC4)c3)ccc2[nH]1.OC1CCNC1
InChIInChI=1S/C21H23NO.C4H9NO/c1-15-11-19-13-18(9-10-21(19)22-15)17-6-4-5-16(12-17)14-23-20-7-2-3-8-20;6-4-1-2-5-3-4/h4-6,9-13,20,22H,2-3,7-8,14H2,1H3;4-6H,1-3H2
InChIKeyJQEQNKZXBHFMTA-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.94
Rot. Bonds4

About 5-[3-(cyclopentyloxymethyl)phenyl]-2-methyl-1H-indole;pyrrolidin-3-ol

5-[3-(cyclopentyloxymethyl)phenyl]-2-methyl-1H-indole;pyrrolidin-3-ol (PubChem CID 144724522) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 5-[3-(cyclopentyloxymethyl)phenyl]-2-methyl-1H-indole;pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[3-(cyclopentyloxymethyl)phenyl]-2-methyl-1H-indole;pyrrolidin-3-ol
PubChem CID144724522
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name5-[3-(cyclopentyloxymethyl)phenyl]-2-methyl-1H-indole;pyrrolidin-3-ol
SMILESCc1cc2cc(-c3cccc(COC4CCCC4)c3)ccc2[nH]1.OC1CCNC1
InChIInChI=1S/C21H23NO.C4H9NO/c1-15-11-19-13-18(9-10-21(19)22-15)17-6-4-5-16(12-17)14-23-20-7-2-3-8-20;6-4-1-2-5-3-4/h4-6,9-13,20,22H,2-3,7-8,14H2,1H3;4-6H,1-3H2
InChIKeyJQEQNKZXBHFMTA-UHFFFAOYSA-N
XLogP4.94
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclopentyloxymethyl)phenyl]-2-methyl-1H-indole;pyrrolidin-3-ol?
The IUPAC name of 5-[3-(cyclopentyloxymethyl)phenyl]-2-methyl-1H-indole;pyrrolidin-3-ol (CID 144724522) is 5-[3-(cyclopentyloxymethyl)phenyl]-2-methyl-1H-indole;pyrrolidin-3-ol.
What is the SMILES notation for 5-[3-(cyclopentyloxymethyl)phenyl]-2-methyl-1H-indole;pyrrolidin-3-ol?
The canonical SMILES for 5-[3-(cyclopentyloxymethyl)phenyl]-2-methyl-1H-indole;pyrrolidin-3-ol is Cc1cc2cc(-c3cccc(COC4CCCC4)c3)ccc2[nH]1.OC1CCNC1.
What is the InChIKey of 5-[3-(cyclopentyloxymethyl)phenyl]-2-methyl-1H-indole;pyrrolidin-3-ol?
The InChIKey is JQEQNKZXBHFMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO.C4H9NO/c1-15-11-19-13-18(9-10-21(19)22-15)17-6-4-5-16(12-17)14-23-20-7-2-3-8-20;6-4-1-2-5-3-4/h4-6,9-13,20,22H,2-3,7-8,14H2,1H3;4-6H,1-3H2.
What are the key properties of 5-[3-(cyclopentyloxymethyl)phenyl]-2-methyl-1H-indole;pyrrolidin-3-ol?
5-[3-(cyclopentyloxymethyl)phenyl]-2-methyl-1H-indole;pyrrolidin-3-ol has a molecular weight of 392.54 g/mol, XLogP of 4.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclopentyloxymethyl)phenyl]-2-methyl-1H-indole;pyrrolidin-3-ol is sourced from PubChem (CID 144724522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).