5-methyl-2,3,6,7-tetrahydroinden-1-one

C10H12O — CID 10866494

IUPAC5-methyl-2,3,6,7-tetrahydroinden-1-one
SMILESCC1=CC2=C(CC1)C(=O)CC2
InChIInChI=1S/C10H12O/c1-7-2-4-9-8(6-7)3-5-10(9)11/h6H,2-5H2,1H3
InChIKeyHHLZYADLHBVKGA-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.39
Rot. Bonds

About 5-methyl-2,3,6,7-tetrahydroinden-1-one

5-methyl-2,3,6,7-tetrahydroinden-1-one (PubChem CID 10866494) has the molecular formula C10H12O and a molecular weight of 148.21 g/mol. Its IUPAC name is 5-methyl-2,3,6,7-tetrahydroinden-1-one.

Molecular Properties

Compound Name5-methyl-2,3,6,7-tetrahydroinden-1-one
PubChem CID10866494
Molecular FormulaC10H12O
Molecular Weight148.21 g/mol
Exact Mass148.09
IUPAC Name5-methyl-2,3,6,7-tetrahydroinden-1-one
SMILESCC1=CC2=C(CC1)C(=O)CC2
InChIInChI=1S/C10H12O/c1-7-2-4-9-8(6-7)3-5-10(9)11/h6H,2-5H2,1H3
InChIKeyHHLZYADLHBVKGA-UHFFFAOYSA-N
XLogP2.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3,6,7-tetrahydroinden-1-one?
The IUPAC name of 5-methyl-2,3,6,7-tetrahydroinden-1-one (CID 10866494) is 5-methyl-2,3,6,7-tetrahydroinden-1-one.
What is the SMILES notation for 5-methyl-2,3,6,7-tetrahydroinden-1-one?
The canonical SMILES for 5-methyl-2,3,6,7-tetrahydroinden-1-one is CC1=CC2=C(CC1)C(=O)CC2.
What is the InChIKey of 5-methyl-2,3,6,7-tetrahydroinden-1-one?
The InChIKey is HHLZYADLHBVKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-7-2-4-9-8(6-7)3-5-10(9)11/h6H,2-5H2,1H3.
What are the key properties of 5-methyl-2,3,6,7-tetrahydroinden-1-one?
5-methyl-2,3,6,7-tetrahydroinden-1-one has a molecular weight of 148.21 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3,6,7-tetrahydroinden-1-one is sourced from PubChem (CID 10866494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).