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

C10H14O — CID 91257633

IUPAC6-methyl-2,3,3a,4,5,6-hexahydroinden-1-one
SMILESCC1C=C2C(=O)CCC2CC1
InChIInChI=1S/C10H14O/c1-7-2-3-8-4-5-10(11)9(8)6-7/h6-8H,2-5H2,1H3
InChIKeyHKBFMCFXIOMEMC-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.32
Rot. Bonds

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

6-methyl-2,3,3a,4,5,6-hexahydroinden-1-one (PubChem CID 91257633) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 6-methyl-2,3,3a,4,5,6-hexahydroinden-1-one.

Molecular Properties

Compound Name6-methyl-2,3,3a,4,5,6-hexahydroinden-1-one
PubChem CID91257633
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name6-methyl-2,3,3a,4,5,6-hexahydroinden-1-one
SMILESCC1C=C2C(=O)CCC2CC1
InChIInChI=1S/C10H14O/c1-7-2-3-8-4-5-10(11)9(8)6-7/h6-8H,2-5H2,1H3
InChIKeyHKBFMCFXIOMEMC-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,3a,4,5,6-hexahydroinden-1-one?
The IUPAC name of 6-methyl-2,3,3a,4,5,6-hexahydroinden-1-one (CID 91257633) is 6-methyl-2,3,3a,4,5,6-hexahydroinden-1-one.
What is the SMILES notation for 6-methyl-2,3,3a,4,5,6-hexahydroinden-1-one?
The canonical SMILES for 6-methyl-2,3,3a,4,5,6-hexahydroinden-1-one is CC1C=C2C(=O)CCC2CC1.
What is the InChIKey of 6-methyl-2,3,3a,4,5,6-hexahydroinden-1-one?
The InChIKey is HKBFMCFXIOMEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-7-2-3-8-4-5-10(11)9(8)6-7/h6-8H,2-5H2,1H3.
What are the key properties of 6-methyl-2,3,3a,4,5,6-hexahydroinden-1-one?
6-methyl-2,3,3a,4,5,6-hexahydroinden-1-one has a molecular weight of 150.22 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,3a,4,5,6-hexahydroinden-1-one is sourced from PubChem (CID 91257633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).