(1R)-1-propan-2-yl-1,2,3,3a-tetrahydroindene-4,6-dione

C12H16O2 — CID 164627891

IUPAC(1R)-1-propan-2-yl-1,2,3,3a-tetrahydroindene-4,6-dione
SMILESCC(C)[C@H]1CCC2C(=O)CC(=O)C=C21
InChIInChI=1S/C12H16O2/c1-7(2)9-3-4-10-11(9)5-8(13)6-12(10)14/h5,7,9-10H,3-4,6H2,1-2H3/t9-,10?/m1/s1
InChIKeyGWOACMXGMBUZBT-YHMJZVADSA-N
MW192.26 g/mol
LogP2.14
Rot. Bonds1

About (1R)-1-propan-2-yl-1,2,3,3a-tetrahydroindene-4,6-dione

(1R)-1-propan-2-yl-1,2,3,3a-tetrahydroindene-4,6-dione (PubChem CID 164627891) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (1R)-1-propan-2-yl-1,2,3,3a-tetrahydroindene-4,6-dione.

Molecular Properties

Compound Name(1R)-1-propan-2-yl-1,2,3,3a-tetrahydroindene-4,6-dione
PubChem CID164627891
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(1R)-1-propan-2-yl-1,2,3,3a-tetrahydroindene-4,6-dione
SMILESCC(C)[C@H]1CCC2C(=O)CC(=O)C=C21
InChIInChI=1S/C12H16O2/c1-7(2)9-3-4-10-11(9)5-8(13)6-12(10)14/h5,7,9-10H,3-4,6H2,1-2H3/t9-,10?/m1/s1
InChIKeyGWOACMXGMBUZBT-YHMJZVADSA-N
XLogP2.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-propan-2-yl-1,2,3,3a-tetrahydroindene-4,6-dione?
The IUPAC name of (1R)-1-propan-2-yl-1,2,3,3a-tetrahydroindene-4,6-dione (CID 164627891) is (1R)-1-propan-2-yl-1,2,3,3a-tetrahydroindene-4,6-dione.
What is the SMILES notation for (1R)-1-propan-2-yl-1,2,3,3a-tetrahydroindene-4,6-dione?
The canonical SMILES for (1R)-1-propan-2-yl-1,2,3,3a-tetrahydroindene-4,6-dione is CC(C)[C@H]1CCC2C(=O)CC(=O)C=C21.
What is the InChIKey of (1R)-1-propan-2-yl-1,2,3,3a-tetrahydroindene-4,6-dione?
The InChIKey is GWOACMXGMBUZBT-YHMJZVADSA-N. The full InChI is InChI=1S/C12H16O2/c1-7(2)9-3-4-10-11(9)5-8(13)6-12(10)14/h5,7,9-10H,3-4,6H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of (1R)-1-propan-2-yl-1,2,3,3a-tetrahydroindene-4,6-dione?
(1R)-1-propan-2-yl-1,2,3,3a-tetrahydroindene-4,6-dione has a molecular weight of 192.26 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-propan-2-yl-1,2,3,3a-tetrahydroindene-4,6-dione is sourced from PubChem (CID 164627891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).