(2S)-2-methyl-2,3-dihydroinden-1-one

C10H10O — CID 6994407

IUPAC(2S)-2-methyl-2,3-dihydroinden-1-one
SMILESC[C@H]1Cc2ccccc2C1=O
InChIInChI=1S/C10H10O/c1-7-6-8-4-2-3-5-9(8)10(7)11/h2-5,7H,6H2,1H3/t7-/m0/s1
InChIKeyBEKNOGMQVKBMQN-ZETCQYMHSA-N
MW146.19 g/mol
LogP2.06
Rot. Bonds

About (2S)-2-methyl-2,3-dihydroinden-1-one

(2S)-2-methyl-2,3-dihydroinden-1-one (PubChem CID 6994407) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is (2S)-2-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2S)-2-methyl-2,3-dihydroinden-1-one
PubChem CID6994407
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name(2S)-2-methyl-2,3-dihydroinden-1-one
SMILESC[C@H]1Cc2ccccc2C1=O
InChIInChI=1S/C10H10O/c1-7-6-8-4-2-3-5-9(8)10(7)11/h2-5,7H,6H2,1H3/t7-/m0/s1
InChIKeyBEKNOGMQVKBMQN-ZETCQYMHSA-N
XLogP2.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2,3-dihydroinden-1-one?
The IUPAC name of (2S)-2-methyl-2,3-dihydroinden-1-one (CID 6994407) is (2S)-2-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for (2S)-2-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for (2S)-2-methyl-2,3-dihydroinden-1-one is C[C@H]1Cc2ccccc2C1=O.
What is the InChIKey of (2S)-2-methyl-2,3-dihydroinden-1-one?
The InChIKey is BEKNOGMQVKBMQN-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10O/c1-7-6-8-4-2-3-5-9(8)10(7)11/h2-5,7H,6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-methyl-2,3-dihydroinden-1-one?
(2S)-2-methyl-2,3-dihydroinden-1-one has a molecular weight of 146.19 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 6994407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).