3-methyl-6-(2-methylpropyl)-2,3-dihydroinden-1-one

C14H18O — CID 63821918

IUPAC3-methyl-6-(2-methylpropyl)-2,3-dihydroinden-1-one
SMILESCC(C)Cc1ccc2c(c1)C(=O)CC2C
InChIInChI=1S/C14H18O/c1-9(2)6-11-4-5-12-10(3)7-14(15)13(12)8-11/h4-5,8-10H,6-7H2,1-3H3
InChIKeyCSDPIDNEKUGKRT-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.58
Rot. Bonds2

About 3-methyl-6-(2-methylpropyl)-2,3-dihydroinden-1-one

3-methyl-6-(2-methylpropyl)-2,3-dihydroinden-1-one (PubChem CID 63821918) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-methyl-6-(2-methylpropyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name3-methyl-6-(2-methylpropyl)-2,3-dihydroinden-1-one
PubChem CID63821918
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name3-methyl-6-(2-methylpropyl)-2,3-dihydroinden-1-one
SMILESCC(C)Cc1ccc2c(c1)C(=O)CC2C
InChIInChI=1S/C14H18O/c1-9(2)6-11-4-5-12-10(3)7-14(15)13(12)8-11/h4-5,8-10H,6-7H2,1-3H3
InChIKeyCSDPIDNEKUGKRT-UHFFFAOYSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(2-methylpropyl)-2,3-dihydroinden-1-one?
The IUPAC name of 3-methyl-6-(2-methylpropyl)-2,3-dihydroinden-1-one (CID 63821918) is 3-methyl-6-(2-methylpropyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 3-methyl-6-(2-methylpropyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 3-methyl-6-(2-methylpropyl)-2,3-dihydroinden-1-one is CC(C)Cc1ccc2c(c1)C(=O)CC2C.
What is the InChIKey of 3-methyl-6-(2-methylpropyl)-2,3-dihydroinden-1-one?
The InChIKey is CSDPIDNEKUGKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-9(2)6-11-4-5-12-10(3)7-14(15)13(12)8-11/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 3-methyl-6-(2-methylpropyl)-2,3-dihydroinden-1-one?
3-methyl-6-(2-methylpropyl)-2,3-dihydroinden-1-one has a molecular weight of 202.30 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(2-methylpropyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 63821918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).