3-methyl-1,5,6,7-tetrahydroinden-4-one

C10H12O — CID 142181977

IUPAC3-methyl-1,5,6,7-tetrahydroinden-4-one
SMILESCC1=CCC2=C1C(=O)CCC2
InChIInChI=1S/C10H12O/c1-7-5-6-8-3-2-4-9(11)10(7)8/h5H,2-4,6H2,1H3
InChIKeyYGBBELXWJYGSHH-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.39
Rot. Bonds

About 3-methyl-1,5,6,7-tetrahydroinden-4-one

3-methyl-1,5,6,7-tetrahydroinden-4-one (PubChem CID 142181977) has the molecular formula C10H12O and a molecular weight of 148.21 g/mol. Its IUPAC name is 3-methyl-1,5,6,7-tetrahydroinden-4-one.

Molecular Properties

Compound Name3-methyl-1,5,6,7-tetrahydroinden-4-one
PubChem CID142181977
Molecular FormulaC10H12O
Molecular Weight148.21 g/mol
Exact Mass148.09
IUPAC Name3-methyl-1,5,6,7-tetrahydroinden-4-one
SMILESCC1=CCC2=C1C(=O)CCC2
InChIInChI=1S/C10H12O/c1-7-5-6-8-3-2-4-9(11)10(7)8/h5H,2-4,6H2,1H3
InChIKeyYGBBELXWJYGSHH-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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,5,6,7-tetrahydroinden-4-one?
The IUPAC name of 3-methyl-1,5,6,7-tetrahydroinden-4-one (CID 142181977) is 3-methyl-1,5,6,7-tetrahydroinden-4-one.
What is the SMILES notation for 3-methyl-1,5,6,7-tetrahydroinden-4-one?
The canonical SMILES for 3-methyl-1,5,6,7-tetrahydroinden-4-one is CC1=CCC2=C1C(=O)CCC2.
What is the InChIKey of 3-methyl-1,5,6,7-tetrahydroinden-4-one?
The InChIKey is YGBBELXWJYGSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-7-5-6-8-3-2-4-9(11)10(7)8/h5H,2-4,6H2,1H3.
What are the key properties of 3-methyl-1,5,6,7-tetrahydroinden-4-one?
3-methyl-1,5,6,7-tetrahydroinden-4-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 3-methyl-1,5,6,7-tetrahydroinden-4-one is sourced from PubChem (CID 142181977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).