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

C13H16O — CID 63820625

IUPAC3-(2-methylpropyl)-2,3-dihydroinden-1-one
SMILESCC(C)CC1CC(=O)c2ccccc21
InChIInChI=1S/C13H16O/c1-9(2)7-10-8-13(14)12-6-4-3-5-11(10)12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyRXKYZCYGUPFXAP-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.40
Rot. Bonds2

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

3-(2-methylpropyl)-2,3-dihydroinden-1-one (PubChem CID 63820625) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(2-methylpropyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name3-(2-methylpropyl)-2,3-dihydroinden-1-one
PubChem CID63820625
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name3-(2-methylpropyl)-2,3-dihydroinden-1-one
SMILESCC(C)CC1CC(=O)c2ccccc21
InChIInChI=1S/C13H16O/c1-9(2)7-10-8-13(14)12-6-4-3-5-11(10)12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyRXKYZCYGUPFXAP-UHFFFAOYSA-N
XLogP3.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-2,3-dihydroinden-1-one?
The IUPAC name of 3-(2-methylpropyl)-2,3-dihydroinden-1-one (CID 63820625) is 3-(2-methylpropyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 3-(2-methylpropyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 3-(2-methylpropyl)-2,3-dihydroinden-1-one is CC(C)CC1CC(=O)c2ccccc21.
What is the InChIKey of 3-(2-methylpropyl)-2,3-dihydroinden-1-one?
The InChIKey is RXKYZCYGUPFXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-9(2)7-10-8-13(14)12-6-4-3-5-11(10)12/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-2,3-dihydroinden-1-one?
3-(2-methylpropyl)-2,3-dihydroinden-1-one has a molecular weight of 188.27 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 63820625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).