(3S)-3-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-7-yl]cyclopentan-1-one

C18H23NO2 — CID 134962565

IUPAC(3S)-3-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-7-yl]cyclopentan-1-one
SMILESCC(C)(C)C(=O)N1CCc2cccc([C@H]3CCC(=O)C3)c21
InChIInChI=1S/C18H23NO2/c1-18(2,3)17(21)19-10-9-12-5-4-6-15(16(12)19)13-7-8-14(20)11-13/h4-6,13H,7-11H2,1-3H3/t13-/m0/s1
InChIKeyJUYNNSUMIWWZGQ-ZDUSSCGKSA-N
MW285.39 g/mol
LogP3.46
Rot. Bonds1

About (3S)-3-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-7-yl]cyclopentan-1-one

(3S)-3-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-7-yl]cyclopentan-1-one (PubChem CID 134962565) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (3S)-3-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-7-yl]cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-7-yl]cyclopentan-1-one
PubChem CID134962565
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(3S)-3-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-7-yl]cyclopentan-1-one
SMILESCC(C)(C)C(=O)N1CCc2cccc([C@H]3CCC(=O)C3)c21
InChIInChI=1S/C18H23NO2/c1-18(2,3)17(21)19-10-9-12-5-4-6-15(16(12)19)13-7-8-14(20)11-13/h4-6,13H,7-11H2,1-3H3/t13-/m0/s1
InChIKeyJUYNNSUMIWWZGQ-ZDUSSCGKSA-N
XLogP3.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-7-yl]cyclopentan-1-one?
The IUPAC name of (3S)-3-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-7-yl]cyclopentan-1-one (CID 134962565) is (3S)-3-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-7-yl]cyclopentan-1-one.
What is the SMILES notation for (3S)-3-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-7-yl]cyclopentan-1-one?
The canonical SMILES for (3S)-3-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-7-yl]cyclopentan-1-one is CC(C)(C)C(=O)N1CCc2cccc([C@H]3CCC(=O)C3)c21.
What is the InChIKey of (3S)-3-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-7-yl]cyclopentan-1-one?
The InChIKey is JUYNNSUMIWWZGQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23NO2/c1-18(2,3)17(21)19-10-9-12-5-4-6-15(16(12)19)13-7-8-14(20)11-13/h4-6,13H,7-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (3S)-3-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-7-yl]cyclopentan-1-one?
(3S)-3-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-7-yl]cyclopentan-1-one has a molecular weight of 285.39 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-7-yl]cyclopentan-1-one is sourced from PubChem (CID 134962565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).