(1R,7aS)-1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one

C10H14O2 — CID 13033870

IUPAC(1R,7aS)-1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
SMILESC[C@]12CCC(=O)C=C1CC[C@H]2O
InChIInChI=1S/C10H14O2/c1-10-5-4-8(11)6-7(10)2-3-9(10)12/h6,9,12H,2-5H2,1H3/t9-,10+/m1/s1
InChIKeyVQOIXUDPFMOECD-ZJUUUORDSA-N
MW166.22 g/mol
LogP1.44
Rot. Bonds

About (1R,7aS)-1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one

(1R,7aS)-1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one (PubChem CID 13033870) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (1R,7aS)-1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one.

Molecular Properties

Compound Name(1R,7aS)-1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
PubChem CID13033870
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(1R,7aS)-1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
SMILESC[C@]12CCC(=O)C=C1CC[C@H]2O
InChIInChI=1S/C10H14O2/c1-10-5-4-8(11)6-7(10)2-3-9(10)12/h6,9,12H,2-5H2,1H3/t9-,10+/m1/s1
InChIKeyVQOIXUDPFMOECD-ZJUUUORDSA-N
XLogP1.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,7aS)-1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,7aS)-1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one?
The IUPAC name of (1R,7aS)-1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one (CID 13033870) is (1R,7aS)-1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one.
What is the SMILES notation for (1R,7aS)-1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one?
The canonical SMILES for (1R,7aS)-1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one is C[C@]12CCC(=O)C=C1CC[C@H]2O.
What is the InChIKey of (1R,7aS)-1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one?
The InChIKey is VQOIXUDPFMOECD-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H14O2/c1-10-5-4-8(11)6-7(10)2-3-9(10)12/h6,9,12H,2-5H2,1H3/t9-,10+/m1/s1.
What are the key properties of (1R,7aS)-1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one?
(1R,7aS)-1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one has a molecular weight of 166.22 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7aS)-1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one is sourced from PubChem (CID 13033870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).