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

C24H28N2O — CID 16660199

IUPAC2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole
SMILESc1ccc2c(c1)cc(C1CC1)n2-c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C24H28N2O/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/h1-2,6-7,10-13,18-19H,3-5,8-9,14-17H2
InChIKeyLIECERANRAGSOD-UHFFFAOYSA-N
MW360.50 g/mol
LogP5.37
Rot. Bonds7

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

2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole (PubChem CID 16660199) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole
PubChem CID16660199
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole
SMILESc1ccc2c(c1)cc(C1CC1)n2-c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C24H28N2O/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/h1-2,6-7,10-13,18-19H,3-5,8-9,14-17H2
InChIKeyLIECERANRAGSOD-UHFFFAOYSA-N
XLogP5.37
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.37
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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Related Compounds

2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]indole
CID 16660200
2,5-dimethyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole
CID 16659553
1-phenyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]benzimidazole
CID 19354021
1-[3-(3-cyclopropylphenoxy)propyl]pyrrolidine
CID 91040173
2,5-dimethyl-1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]indole
CID 143447161
1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2-methylindole
CID 16659556
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
2,5-bis(methylsulfonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole
CID 69130162
1-[3-[4-(4-piperidin-1-ylcyclohexyl)phenoxy]propyl]piperidine
CID 56662041
3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one
CID 11581919
1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidine-4-carbaldehyde
CID 87150007
phenyl-[1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-yl]methanone
CID 66783871

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole?
The IUPAC name of 2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole (CID 16660199) is 2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole.
What is the SMILES notation for 2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole?
The canonical SMILES for 2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole is c1ccc2c(c1)cc(C1CC1)n2-c1ccc(OCCCN2CCCC2)cc1.
What is the InChIKey of 2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole?
The InChIKey is LIECERANRAGSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/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/h1-2,6-7,10-13,18-19H,3-5,8-9,14-17H2.
What are the key properties of 2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole?
2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole has a molecular weight of 360.50 g/mol, XLogP of 5.37, 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)phenyl]indole is sourced from PubChem (CID 16660199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).