(3S)-3-(6-fluoro-1H-indol-3-yl)cyclopentan-1-one

C13H12FNO — CID 129389093

IUPAC(3S)-3-(6-fluoro-1H-indol-3-yl)cyclopentan-1-one
SMILESO=C1CC[C@H](c2c[nH]c3cc(F)ccc23)C1
InChIInChI=1S/C13H12FNO/c14-9-2-4-11-12(7-15-13(11)6-9)8-1-3-10(16)5-8/h2,4,6-8,15H,1,3,5H2/t8-/m0/s1
InChIKeyCDGRUJZILSHISY-QMMMGPOBSA-N
MW217.24 g/mol
LogP3.14
Rot. Bonds1

About (3S)-3-(6-fluoro-1H-indol-3-yl)cyclopentan-1-one

(3S)-3-(6-fluoro-1H-indol-3-yl)cyclopentan-1-one (PubChem CID 129389093) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is (3S)-3-(6-fluoro-1H-indol-3-yl)cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-(6-fluoro-1H-indol-3-yl)cyclopentan-1-one
PubChem CID129389093
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name(3S)-3-(6-fluoro-1H-indol-3-yl)cyclopentan-1-one
SMILESO=C1CC[C@H](c2c[nH]c3cc(F)ccc23)C1
InChIInChI=1S/C13H12FNO/c14-9-2-4-11-12(7-15-13(11)6-9)8-1-3-10(16)5-8/h2,4,6-8,15H,1,3,5H2/t8-/m0/s1
InChIKeyCDGRUJZILSHISY-QMMMGPOBSA-N
XLogP3.14
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3S)-3-(6-fluoro-1H-indol-3-yl)cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-bromo-1H-indol-3-yl)cyclopentan-1-one
CID 22139468
(3S)-3-(6-bromo-1H-indol-3-yl)cyclopentan-1-one
CID 99646312
3-(2,5-difluorophenyl)cyclopentan-1-one
CID 64521922
6-fluoro-3-[(3R)-oxolan-3-yl]-1H-indole
CID 124928109
6-fluoro-3-piperidin-3-yl-1H-indole
CID 54857103
3-(4-fluoro-2-hydroxyphenyl)cyclopentan-1-one
CID 130044703
ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 145286856
6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 97064531
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 141141567
3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-3-methylpyrrolidin-2-one
CID 166249941
4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673262

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(6-fluoro-1H-indol-3-yl)cyclopentan-1-one?
The IUPAC name of (3S)-3-(6-fluoro-1H-indol-3-yl)cyclopentan-1-one (CID 129389093) is (3S)-3-(6-fluoro-1H-indol-3-yl)cyclopentan-1-one.
What is the SMILES notation for (3S)-3-(6-fluoro-1H-indol-3-yl)cyclopentan-1-one?
The canonical SMILES for (3S)-3-(6-fluoro-1H-indol-3-yl)cyclopentan-1-one is O=C1CC[C@H](c2c[nH]c3cc(F)ccc23)C1.
What is the InChIKey of (3S)-3-(6-fluoro-1H-indol-3-yl)cyclopentan-1-one?
The InChIKey is CDGRUJZILSHISY-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H12FNO/c14-9-2-4-11-12(7-15-13(11)6-9)8-1-3-10(16)5-8/h2,4,6-8,15H,1,3,5H2/t8-/m0/s1.
What are the key properties of (3S)-3-(6-fluoro-1H-indol-3-yl)cyclopentan-1-one?
(3S)-3-(6-fluoro-1H-indol-3-yl)cyclopentan-1-one has a molecular weight of 217.24 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(6-fluoro-1H-indol-3-yl)cyclopentan-1-one is sourced from PubChem (CID 129389093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).