2,3-dimethyl-6-propyl-2,3-dihydroinden-1-one

C14H18O — CID 79729847

IUPAC2,3-dimethyl-6-propyl-2,3-dihydroinden-1-one
SMILESCCCc1ccc2c(c1)C(=O)C(C)C2C
InChIInChI=1S/C14H18O/c1-4-5-11-6-7-12-9(2)10(3)14(15)13(12)8-11/h6-10H,4-5H2,1-3H3
InChIKeyBZAASELHDAYVFJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.58
Rot. Bonds2

About 2,3-dimethyl-6-propyl-2,3-dihydroinden-1-one

2,3-dimethyl-6-propyl-2,3-dihydroinden-1-one (PubChem CID 79729847) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2,3-dimethyl-6-propyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2,3-dimethyl-6-propyl-2,3-dihydroinden-1-one
PubChem CID79729847
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2,3-dimethyl-6-propyl-2,3-dihydroinden-1-one
SMILESCCCc1ccc2c(c1)C(=O)C(C)C2C
InChIInChI=1S/C14H18O/c1-4-5-11-6-7-12-9(2)10(3)14(15)13(12)8-11/h6-10H,4-5H2,1-3H3
InChIKeyBZAASELHDAYVFJ-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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Related Compounds

Phenindione
CID 4760
Pindone
CID 6732
Celestolide
CID 61585
Fluorenone
CID 10241
Tonalide
CID 89440
p-METHYLACETOPHENONE
CID 8500
Valone
CID 6733
2,4-Dimethylacetophenone
CID 6985
2-Methylacetophenone
CID 11340
Ethanone, 1-(2,4,6-trimethylphenyl)-
CID 15461
4-Isopropylacetophenone
CID 12578
1-Acenaphthenone
CID 75229

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-propyl-2,3-dihydroinden-1-one?
The IUPAC name of 2,3-dimethyl-6-propyl-2,3-dihydroinden-1-one (CID 79729847) is 2,3-dimethyl-6-propyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 2,3-dimethyl-6-propyl-2,3-dihydroinden-1-one?
The canonical SMILES for 2,3-dimethyl-6-propyl-2,3-dihydroinden-1-one is CCCc1ccc2c(c1)C(=O)C(C)C2C.
What is the InChIKey of 2,3-dimethyl-6-propyl-2,3-dihydroinden-1-one?
The InChIKey is BZAASELHDAYVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-4-5-11-6-7-12-9(2)10(3)14(15)13(12)8-11/h6-10H,4-5H2,1-3H3.
What are the key properties of 2,3-dimethyl-6-propyl-2,3-dihydroinden-1-one?
2,3-dimethyl-6-propyl-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 2,3-dimethyl-6-propyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 79729847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).