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

C10H12O — CID 12934540

IUPAC1-methyl-2,3,6,7-tetrahydroinden-5-one
SMILESCC1=C2CCC(=O)C=C2CC1
InChIInChI=1S/C10H12O/c1-7-2-3-8-6-9(11)4-5-10(7)8/h6H,2-5H2,1H3
InChIKeyFYZPZRSBBGQRHV-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.39
Rot. Bonds

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

1-methyl-2,3,6,7-tetrahydroinden-5-one (PubChem CID 12934540) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 1-methyl-2,3,6,7-tetrahydroinden-5-one.

Molecular Properties

Compound Name1-methyl-2,3,6,7-tetrahydroinden-5-one
PubChem CID12934540
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name1-methyl-2,3,6,7-tetrahydroinden-5-one
SMILESCC1=C2CCC(=O)C=C2CC1
InChIInChI=1S/C10H12O/c1-7-2-3-8-6-9(11)4-5-10(7)8/h6H,2-5H2,1H3
InChIKeyFYZPZRSBBGQRHV-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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,6,7-tetrahydroinden-5-one?
The IUPAC name of 1-methyl-2,3,6,7-tetrahydroinden-5-one (CID 12934540) is 1-methyl-2,3,6,7-tetrahydroinden-5-one.
What is the SMILES notation for 1-methyl-2,3,6,7-tetrahydroinden-5-one?
The canonical SMILES for 1-methyl-2,3,6,7-tetrahydroinden-5-one is CC1=C2CCC(=O)C=C2CC1.
What is the InChIKey of 1-methyl-2,3,6,7-tetrahydroinden-5-one?
The InChIKey is FYZPZRSBBGQRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-7-2-3-8-6-9(11)4-5-10(7)8/h6H,2-5H2,1H3.
What are the key properties of 1-methyl-2,3,6,7-tetrahydroinden-5-one?
1-methyl-2,3,6,7-tetrahydroinden-5-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 1-methyl-2,3,6,7-tetrahydroinden-5-one is sourced from PubChem (CID 12934540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).