(2S)-2-(1H-inden-1-yl)cyclohexan-1-one

C15H16O — CID 90281446

IUPAC(2S)-2-(1H-inden-1-yl)cyclohexan-1-one
SMILESO=C1CCCC[C@H]1C1C=Cc2ccccc21
InChIInChI=1S/C15H16O/c16-15-8-4-3-7-14(15)13-10-9-11-5-1-2-6-12(11)13/h1-2,5-6,9-10,13-14H,3-4,7-8H2/t13?,14-/m0/s1
InChIKeyXCTSNVWWHGZOJZ-KZUDCZAMSA-N
MW212.29 g/mol
LogP3.56
Rot. Bonds1

About (2S)-2-(1H-inden-1-yl)cyclohexan-1-one

(2S)-2-(1H-inden-1-yl)cyclohexan-1-one (PubChem CID 90281446) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is (2S)-2-(1H-inden-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name(2S)-2-(1H-inden-1-yl)cyclohexan-1-one
PubChem CID90281446
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name(2S)-2-(1H-inden-1-yl)cyclohexan-1-one
SMILESO=C1CCCC[C@H]1C1C=Cc2ccccc21
InChIInChI=1S/C15H16O/c16-15-8-4-3-7-14(15)13-10-9-11-5-1-2-6-12(11)13/h1-2,5-6,9-10,13-14H,3-4,7-8H2/t13?,14-/m0/s1
InChIKeyXCTSNVWWHGZOJZ-KZUDCZAMSA-N
XLogP3.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-inden-1-yl)cyclohexan-1-one?
The IUPAC name of (2S)-2-(1H-inden-1-yl)cyclohexan-1-one (CID 90281446) is (2S)-2-(1H-inden-1-yl)cyclohexan-1-one.
What is the SMILES notation for (2S)-2-(1H-inden-1-yl)cyclohexan-1-one?
The canonical SMILES for (2S)-2-(1H-inden-1-yl)cyclohexan-1-one is O=C1CCCC[C@H]1C1C=Cc2ccccc21.
What is the InChIKey of (2S)-2-(1H-inden-1-yl)cyclohexan-1-one?
The InChIKey is XCTSNVWWHGZOJZ-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H16O/c16-15-8-4-3-7-14(15)13-10-9-11-5-1-2-6-12(11)13/h1-2,5-6,9-10,13-14H,3-4,7-8H2/t13?,14-/m0/s1.
What are the key properties of (2S)-2-(1H-inden-1-yl)cyclohexan-1-one?
(2S)-2-(1H-inden-1-yl)cyclohexan-1-one has a molecular weight of 212.29 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-inden-1-yl)cyclohexan-1-one is sourced from PubChem (CID 90281446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).