(3R)-3-(2,3-dihydroindol-1-yl)cyclopentan-1-one

C13H15NO — CID 102451637

IUPAC(3R)-3-(2,3-dihydroindol-1-yl)cyclopentan-1-one
SMILESO=C1CC[C@@H](N2CCc3ccccc32)C1
InChIInChI=1S/C13H15NO/c15-12-6-5-11(9-12)14-8-7-10-3-1-2-4-13(10)14/h1-4,11H,5-9H2/t11-/m1/s1
InChIKeyPHYCCEGRVAIGGE-LLVKDONJSA-N
MW201.27 g/mol
LogP2.17
Rot. Bonds1

About (3R)-3-(2,3-dihydroindol-1-yl)cyclopentan-1-one

(3R)-3-(2,3-dihydroindol-1-yl)cyclopentan-1-one (PubChem CID 102451637) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (3R)-3-(2,3-dihydroindol-1-yl)cyclopentan-1-one.

Molecular Properties

Compound Name(3R)-3-(2,3-dihydroindol-1-yl)cyclopentan-1-one
PubChem CID102451637
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(3R)-3-(2,3-dihydroindol-1-yl)cyclopentan-1-one
SMILESO=C1CC[C@@H](N2CCc3ccccc32)C1
InChIInChI=1S/C13H15NO/c15-12-6-5-11(9-12)14-8-7-10-3-1-2-4-13(10)14/h1-4,11H,5-9H2/t11-/m1/s1
InChIKeyPHYCCEGRVAIGGE-LLVKDONJSA-N
XLogP2.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,3-dihydroindol-1-yl)cyclopentan-1-one?
The IUPAC name of (3R)-3-(2,3-dihydroindol-1-yl)cyclopentan-1-one (CID 102451637) is (3R)-3-(2,3-dihydroindol-1-yl)cyclopentan-1-one.
What is the SMILES notation for (3R)-3-(2,3-dihydroindol-1-yl)cyclopentan-1-one?
The canonical SMILES for (3R)-3-(2,3-dihydroindol-1-yl)cyclopentan-1-one is O=C1CC[C@@H](N2CCc3ccccc32)C1.
What is the InChIKey of (3R)-3-(2,3-dihydroindol-1-yl)cyclopentan-1-one?
The InChIKey is PHYCCEGRVAIGGE-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15NO/c15-12-6-5-11(9-12)14-8-7-10-3-1-2-4-13(10)14/h1-4,11H,5-9H2/t11-/m1/s1.
What are the key properties of (3R)-3-(2,3-dihydroindol-1-yl)cyclopentan-1-one?
(3R)-3-(2,3-dihydroindol-1-yl)cyclopentan-1-one has a molecular weight of 201.27 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,3-dihydroindol-1-yl)cyclopentan-1-one is sourced from PubChem (CID 102451637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).