[(3R,3aR,8bR)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-3-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C21H29NO3 — CID 12008110

IUPAC[(3R,3aR,8bR)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-3-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COC(C)(C)N1C(=O)O[C@@H]1CC[C@@]2(C)c3ccccc3C[C@@H]12
InChIInChI=1S/C21H29NO3/c1-19(2)13-24-20(3,4)22(19)18(23)25-17-10-11-21(5)15-9-7-6-8-14(15)12-16(17)21/h6-9,16-17H,10-13H2,1-5H3/t16-,17+,21-/m0/s1
InChIKeyKWWBSDWANMHPTH-FVJLSDCUSA-N
MW343.47 g/mol
LogP4.26
Rot. Bonds1

About [(3R,3aR,8bR)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-3-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

[(3R,3aR,8bR)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-3-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 12008110) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is [(3R,3aR,8bR)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-3-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(3R,3aR,8bR)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-3-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID12008110
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name[(3R,3aR,8bR)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-3-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COC(C)(C)N1C(=O)O[C@@H]1CC[C@@]2(C)c3ccccc3C[C@@H]12
InChIInChI=1S/C21H29NO3/c1-19(2)13-24-20(3,4)22(19)18(23)25-17-10-11-21(5)15-9-7-6-8-14(15)12-16(17)21/h6-9,16-17H,10-13H2,1-5H3/t16-,17+,21-/m0/s1
InChIKeyKWWBSDWANMHPTH-FVJLSDCUSA-N
XLogP4.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R,3aR,8bR)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-3-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R,3aR,8bR)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-3-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(3R,3aR,8bR)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-3-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 12008110) is [(3R,3aR,8bR)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-3-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(3R,3aR,8bR)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-3-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(3R,3aR,8bR)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-3-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is CC1(C)COC(C)(C)N1C(=O)O[C@@H]1CC[C@@]2(C)c3ccccc3C[C@@H]12.
What is the InChIKey of [(3R,3aR,8bR)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-3-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is KWWBSDWANMHPTH-FVJLSDCUSA-N. The full InChI is InChI=1S/C21H29NO3/c1-19(2)13-24-20(3,4)22(19)18(23)25-17-10-11-21(5)15-9-7-6-8-14(15)12-16(17)21/h6-9,16-17H,10-13H2,1-5H3/t16-,17+,21-/m0/s1.
What are the key properties of [(3R,3aR,8bR)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-3-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[(3R,3aR,8bR)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-3-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 343.47 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aR,8bR)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-3-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 12008110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).