1-[1-[3-(dimethylamino)propyl]-7-fluoroindol-3-yl]ethanone

C15H19FN2O — CID 117098778

IUPAC1-[1-[3-(dimethylamino)propyl]-7-fluoroindol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCN(C)C)c2c(F)cccc12
InChIInChI=1S/C15H19FN2O/c1-11(19)13-10-18(9-5-8-17(2)3)15-12(13)6-4-7-14(15)16/h4,6-7,10H,5,8-9H2,1-3H3
InChIKeyZTTPOBQVDWFTLN-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.93
Rot. Bonds5

About 1-[1-[3-(dimethylamino)propyl]-7-fluoroindol-3-yl]ethanone

1-[1-[3-(dimethylamino)propyl]-7-fluoroindol-3-yl]ethanone (PubChem CID 117098778) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-[1-[3-(dimethylamino)propyl]-7-fluoroindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-(dimethylamino)propyl]-7-fluoroindol-3-yl]ethanone
PubChem CID117098778
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name1-[1-[3-(dimethylamino)propyl]-7-fluoroindol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCN(C)C)c2c(F)cccc12
InChIInChI=1S/C15H19FN2O/c1-11(19)13-10-18(9-5-8-17(2)3)15-12(13)6-4-7-14(15)16/h4,6-7,10H,5,8-9H2,1-3H3
InChIKeyZTTPOBQVDWFTLN-UHFFFAOYSA-N
XLogP2.93
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(dimethylamino)propyl]-7-fluoroindol-3-yl]ethanone?
The IUPAC name of 1-[1-[3-(dimethylamino)propyl]-7-fluoroindol-3-yl]ethanone (CID 117098778) is 1-[1-[3-(dimethylamino)propyl]-7-fluoroindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-(dimethylamino)propyl]-7-fluoroindol-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-(dimethylamino)propyl]-7-fluoroindol-3-yl]ethanone is CC(=O)c1cn(CCCN(C)C)c2c(F)cccc12.
What is the InChIKey of 1-[1-[3-(dimethylamino)propyl]-7-fluoroindol-3-yl]ethanone?
The InChIKey is ZTTPOBQVDWFTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-11(19)13-10-18(9-5-8-17(2)3)15-12(13)6-4-7-14(15)16/h4,6-7,10H,5,8-9H2,1-3H3.
What are the key properties of 1-[1-[3-(dimethylamino)propyl]-7-fluoroindol-3-yl]ethanone?
1-[1-[3-(dimethylamino)propyl]-7-fluoroindol-3-yl]ethanone has a molecular weight of 262.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(dimethylamino)propyl]-7-fluoroindol-3-yl]ethanone is sourced from PubChem (CID 117098778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).