4-fluoro-5-methoxy-3-(2-pyrrolidin-1-ylethyl)-1H-indole

C15H19FN2O — CID 10015574

IUPAC4-fluoro-5-methoxy-3-(2-pyrrolidin-1-ylethyl)-1H-indole
SMILESCOc1ccc2[nH]cc(CCN3CCCC3)c2c1F
InChIInChI=1S/C15H19FN2O/c1-19-13-5-4-12-14(15(13)16)11(10-17-12)6-9-18-7-2-3-8-18/h4-5,10,17H,2-3,6-9H2,1H3
InChIKeyFJCRAYWNOXUYOO-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.95
Rot. Bonds4

About 4-fluoro-5-methoxy-3-(2-pyrrolidin-1-ylethyl)-1H-indole

4-fluoro-5-methoxy-3-(2-pyrrolidin-1-ylethyl)-1H-indole (PubChem CID 10015574) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-3-(2-pyrrolidin-1-ylethyl)-1H-indole.

Molecular Properties

Compound Name4-fluoro-5-methoxy-3-(2-pyrrolidin-1-ylethyl)-1H-indole
PubChem CID10015574
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name4-fluoro-5-methoxy-3-(2-pyrrolidin-1-ylethyl)-1H-indole
SMILESCOc1ccc2[nH]cc(CCN3CCCC3)c2c1F
InChIInChI=1S/C15H19FN2O/c1-19-13-5-4-12-14(15(13)16)11(10-17-12)6-9-18-7-2-3-8-18/h4-5,10,17H,2-3,6-9H2,1H3
InChIKeyFJCRAYWNOXUYOO-UHFFFAOYSA-N
XLogP2.95
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-3-(2-pyrrolidin-1-ylethyl)-1H-indole?
The IUPAC name of 4-fluoro-5-methoxy-3-(2-pyrrolidin-1-ylethyl)-1H-indole (CID 10015574) is 4-fluoro-5-methoxy-3-(2-pyrrolidin-1-ylethyl)-1H-indole.
What is the SMILES notation for 4-fluoro-5-methoxy-3-(2-pyrrolidin-1-ylethyl)-1H-indole?
The canonical SMILES for 4-fluoro-5-methoxy-3-(2-pyrrolidin-1-ylethyl)-1H-indole is COc1ccc2[nH]cc(CCN3CCCC3)c2c1F.
What is the InChIKey of 4-fluoro-5-methoxy-3-(2-pyrrolidin-1-ylethyl)-1H-indole?
The InChIKey is FJCRAYWNOXUYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-19-13-5-4-12-14(15(13)16)11(10-17-12)6-9-18-7-2-3-8-18/h4-5,10,17H,2-3,6-9H2,1H3.
What are the key properties of 4-fluoro-5-methoxy-3-(2-pyrrolidin-1-ylethyl)-1H-indole?
4-fluoro-5-methoxy-3-(2-pyrrolidin-1-ylethyl)-1H-indole has a molecular weight of 262.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-3-(2-pyrrolidin-1-ylethyl)-1H-indole is sourced from PubChem (CID 10015574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).