2-[(6-fluoro-1-methylindol-3-yl)methyl]cyclopentan-1-one

C15H16FNO — CID 84631908

IUPAC2-[(6-fluoro-1-methylindol-3-yl)methyl]cyclopentan-1-one
SMILESCn1cc(CC2CCCC2=O)c2ccc(F)cc21
InChIInChI=1S/C15H16FNO/c1-17-9-11(7-10-3-2-4-15(10)18)13-6-5-12(16)8-14(13)17/h5-6,8-10H,2-4,7H2,1H3
InChIKeyWXNOLEMIDDLKJL-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.23
Rot. Bonds2

About 2-[(6-fluoro-1-methylindol-3-yl)methyl]cyclopentan-1-one

2-[(6-fluoro-1-methylindol-3-yl)methyl]cyclopentan-1-one (PubChem CID 84631908) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-[(6-fluoro-1-methylindol-3-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(6-fluoro-1-methylindol-3-yl)methyl]cyclopentan-1-one
PubChem CID84631908
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name2-[(6-fluoro-1-methylindol-3-yl)methyl]cyclopentan-1-one
SMILESCn1cc(CC2CCCC2=O)c2ccc(F)cc21
InChIInChI=1S/C15H16FNO/c1-17-9-11(7-10-3-2-4-15(10)18)13-6-5-12(16)8-14(13)17/h5-6,8-10H,2-4,7H2,1H3
InChIKeyWXNOLEMIDDLKJL-UHFFFAOYSA-N
XLogP3.23
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-1-methylindol-3-yl)methyl]cyclopentan-1-one?
The IUPAC name of 2-[(6-fluoro-1-methylindol-3-yl)methyl]cyclopentan-1-one (CID 84631908) is 2-[(6-fluoro-1-methylindol-3-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(6-fluoro-1-methylindol-3-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[(6-fluoro-1-methylindol-3-yl)methyl]cyclopentan-1-one is Cn1cc(CC2CCCC2=O)c2ccc(F)cc21.
What is the InChIKey of 2-[(6-fluoro-1-methylindol-3-yl)methyl]cyclopentan-1-one?
The InChIKey is WXNOLEMIDDLKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-17-9-11(7-10-3-2-4-15(10)18)13-6-5-12(16)8-14(13)17/h5-6,8-10H,2-4,7H2,1H3.
What are the key properties of 2-[(6-fluoro-1-methylindol-3-yl)methyl]cyclopentan-1-one?
2-[(6-fluoro-1-methylindol-3-yl)methyl]cyclopentan-1-one has a molecular weight of 245.30 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-1-methylindol-3-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 84631908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).