2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]indole

C24H34N2O — CID 16660200

IUPAC2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]indole
SMILESc1ccc2c(c1)cc(C1CC1)n2C1CCC(OCCCN2CCCC2)CC1
InChIInChI=1S/C24H34N2O/c1-2-7-23-20(6-1)18-24(19-8-9-19)26(23)21-10-12-22(13-11-21)27-17-5-16-25-14-3-4-15-25/h1-2,6-7,18-19,21-22H,3-5,8-17H2
InChIKeyJZCSVSOCOBPAHK-UHFFFAOYSA-N
MW366.55 g/mol
LogP5.50
Rot. Bonds7

About 2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]indole

2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]indole (PubChem CID 16660200) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]indole.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]indole
PubChem CID16660200
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]indole
SMILESc1ccc2c(c1)cc(C1CC1)n2C1CCC(OCCCN2CCCC2)CC1
InChIInChI=1S/C24H34N2O/c1-2-7-23-20(6-1)18-24(19-8-9-19)26(23)21-10-12-22(13-11-21)27-17-5-16-25-14-3-4-15-25/h1-2,6-7,18-19,21-22H,3-5,8-17H2
InChIKeyJZCSVSOCOBPAHK-UHFFFAOYSA-N
XLogP5.50
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]indole?
The IUPAC name of 2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]indole (CID 16660200) is 2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]indole.
What is the SMILES notation for 2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]indole?
The canonical SMILES for 2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]indole is c1ccc2c(c1)cc(C1CC1)n2C1CCC(OCCCN2CCCC2)CC1.
What is the InChIKey of 2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]indole?
The InChIKey is JZCSVSOCOBPAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c1-2-7-23-20(6-1)18-24(19-8-9-19)26(23)21-10-12-22(13-11-21)27-17-5-16-25-14-3-4-15-25/h1-2,6-7,18-19,21-22H,3-5,8-17H2.
What are the key properties of 2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]indole?
2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]indole has a molecular weight of 366.55 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]indole is sourced from PubChem (CID 16660200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).