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

C10H12O — CID 142636804

IUPAC2-methyl-4,5,6,7-tetrahydroinden-1-one
SMILESCC1=CC2=C(CCCC2)C1=O
InChIInChI=1S/C10H12O/c1-7-6-8-4-2-3-5-9(8)10(7)11/h6H,2-5H2,1H3
InChIKeyYHSZRVOODIDFDR-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.39
Rot. Bonds

About 2-methyl-4,5,6,7-tetrahydroinden-1-one

2-methyl-4,5,6,7-tetrahydroinden-1-one (PubChem CID 142636804) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydroinden-1-one.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydroinden-1-one
PubChem CID142636804
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name2-methyl-4,5,6,7-tetrahydroinden-1-one
SMILESCC1=CC2=C(CCCC2)C1=O
InChIInChI=1S/C10H12O/c1-7-6-8-4-2-3-5-9(8)10(7)11/h6H,2-5H2,1H3
InChIKeyYHSZRVOODIDFDR-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 ≤ 500148.20
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 2-methyl-4,5,6,7-tetrahydroinden-1-one?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydroinden-1-one (CID 142636804) is 2-methyl-4,5,6,7-tetrahydroinden-1-one.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydroinden-1-one?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydroinden-1-one is CC1=CC2=C(CCCC2)C1=O.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydroinden-1-one?
The InChIKey is YHSZRVOODIDFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-7-6-8-4-2-3-5-9(8)10(7)11/h6H,2-5H2,1H3.
What are the key properties of 2-methyl-4,5,6,7-tetrahydroinden-1-one?
2-methyl-4,5,6,7-tetrahydroinden-1-one has a molecular weight of 148.20 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 2-methyl-4,5,6,7-tetrahydroinden-1-one is sourced from PubChem (CID 142636804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).