ethane;1-methyl-1,3-dihydroinden-2-one

C12H16O — CID 91072401

IUPACethane;1-methyl-1,3-dihydroinden-2-one
SMILESCC.CC1C(=O)Cc2ccccc21
InChIInChI=1S/C10H10O.C2H6/c1-7-9-5-3-2-4-8(9)6-10(7)11;1-2/h2-5,7H,6H2,1H3;1-2H3
InChIKeyBRDFFXBDSRUDBF-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.94
Rot. Bonds

About ethane;1-methyl-1,3-dihydroinden-2-one

ethane;1-methyl-1,3-dihydroinden-2-one (PubChem CID 91072401) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is ethane;1-methyl-1,3-dihydroinden-2-one.

Molecular Properties

Compound Nameethane;1-methyl-1,3-dihydroinden-2-one
PubChem CID91072401
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Nameethane;1-methyl-1,3-dihydroinden-2-one
SMILESCC.CC1C(=O)Cc2ccccc21
InChIInChI=1S/C10H10O.C2H6/c1-7-9-5-3-2-4-8(9)6-10(7)11;1-2/h2-5,7H,6H2,1H3;1-2H3
InChIKeyBRDFFXBDSRUDBF-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-1,3-dihydroinden-2-one?
The IUPAC name of ethane;1-methyl-1,3-dihydroinden-2-one (CID 91072401) is ethane;1-methyl-1,3-dihydroinden-2-one.
What is the SMILES notation for ethane;1-methyl-1,3-dihydroinden-2-one?
The canonical SMILES for ethane;1-methyl-1,3-dihydroinden-2-one is CC.CC1C(=O)Cc2ccccc21.
What is the InChIKey of ethane;1-methyl-1,3-dihydroinden-2-one?
The InChIKey is BRDFFXBDSRUDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O.C2H6/c1-7-9-5-3-2-4-8(9)6-10(7)11;1-2/h2-5,7H,6H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-1,3-dihydroinden-2-one?
ethane;1-methyl-1,3-dihydroinden-2-one has a molecular weight of 176.26 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-1,3-dihydroinden-2-one is sourced from PubChem (CID 91072401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).