4-methyl-2,3,4,5,6,7-hexahydroinden-1-one

C10H14O — CID 12604194

IUPAC4-methyl-2,3,4,5,6,7-hexahydroinden-1-one
SMILESCC1CCCC2=C1CCC2=O
InChIInChI=1S/C10H14O/c1-7-3-2-4-9-8(7)5-6-10(9)11/h7H,2-6H2,1H3
InChIKeyYOHADDQDDUVYJE-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.47
Rot. Bonds

About 4-methyl-2,3,4,5,6,7-hexahydroinden-1-one

4-methyl-2,3,4,5,6,7-hexahydroinden-1-one (PubChem CID 12604194) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-methyl-2,3,4,5,6,7-hexahydroinden-1-one.

Molecular Properties

Compound Name4-methyl-2,3,4,5,6,7-hexahydroinden-1-one
PubChem CID12604194
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name4-methyl-2,3,4,5,6,7-hexahydroinden-1-one
SMILESCC1CCCC2=C1CCC2=O
InChIInChI=1S/C10H14O/c1-7-3-2-4-9-8(7)5-6-10(9)11/h7H,2-6H2,1H3
InChIKeyYOHADDQDDUVYJE-UHFFFAOYSA-N
XLogP2.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3,4,5,6,7-hexahydroinden-1-one?
The IUPAC name of 4-methyl-2,3,4,5,6,7-hexahydroinden-1-one (CID 12604194) is 4-methyl-2,3,4,5,6,7-hexahydroinden-1-one.
What is the SMILES notation for 4-methyl-2,3,4,5,6,7-hexahydroinden-1-one?
The canonical SMILES for 4-methyl-2,3,4,5,6,7-hexahydroinden-1-one is CC1CCCC2=C1CCC2=O.
What is the InChIKey of 4-methyl-2,3,4,5,6,7-hexahydroinden-1-one?
The InChIKey is YOHADDQDDUVYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-7-3-2-4-9-8(7)5-6-10(9)11/h7H,2-6H2,1H3.
What are the key properties of 4-methyl-2,3,4,5,6,7-hexahydroinden-1-one?
4-methyl-2,3,4,5,6,7-hexahydroinden-1-one has a molecular weight of 150.22 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3,4,5,6,7-hexahydroinden-1-one is sourced from PubChem (CID 12604194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).