(5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine

C21H25NO — CID 135202315

IUPAC(5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
SMILESCc1ccc2c(oc3ccccc32)c1N1[C@@H](C)C(C)CC1(C)C
InChIInChI=1S/C21H25NO/c1-13-10-11-17-16-8-6-7-9-18(16)23-20(17)19(13)22-15(3)14(2)12-21(22,4)5/h6-11,14-15H,12H2,1-5H3/t14?,15-/m0/s1
InChIKeyZQFLFSSBEGKYIX-LOACHALJSA-N
MW307.44 g/mol
LogP5.91
Rot. Bonds1

About (5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine

(5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine (PubChem CID 135202315) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is (5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine.

Molecular Properties

Compound Name(5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
PubChem CID135202315
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name(5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
SMILESCc1ccc2c(oc3ccccc32)c1N1[C@@H](C)C(C)CC1(C)C
InChIInChI=1S/C21H25NO/c1-13-10-11-17-16-8-6-7-9-18(16)23-20(17)19(13)22-15(3)14(2)12-21(22,4)5/h6-11,14-15H,12H2,1-5H3/t14?,15-/m0/s1
InChIKeyZQFLFSSBEGKYIX-LOACHALJSA-N
XLogP5.91
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 137454596
5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
CID 146363443
1,8,10-trimethyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162296040
(1S)-4,4-dideuterio-1,3,3-trimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane
CID 158953609
(2S)-2,3,3-trimethyl-1-(3-methyldibenzofuran-4-yl)-1-azaspiro[4.5]decane
CID 147607330
3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 162296036
(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole
CID 134371457
10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162296037
(2R,6R)-2,3-dimethyl-7-(3-methyldibenzofuran-4-yl)-3,7-diazabicyclo[4.1.0]hept-4-ene
CID 167206557
1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
CID 134285418
(2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-1,2-dihydroimidazol-1-ium iodide
CID 170140733
1-(3-methyldibenzofuran-4-yl)-3-[2-(2-methylphenyl)propan-2-yl]-2H-imidazole
CID 138486784

Frequently Asked Questions

What is the IUPAC name of (5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine?
The IUPAC name of (5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine (CID 135202315) is (5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine.
What is the SMILES notation for (5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine?
The canonical SMILES for (5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine is Cc1ccc2c(oc3ccccc32)c1N1[C@@H](C)C(C)CC1(C)C.
What is the InChIKey of (5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine?
The InChIKey is ZQFLFSSBEGKYIX-LOACHALJSA-N. The full InChI is InChI=1S/C21H25NO/c1-13-10-11-17-16-8-6-7-9-18(16)23-20(17)19(13)22-15(3)14(2)12-21(22,4)5/h6-11,14-15H,12H2,1-5H3/t14?,15-/m0/s1.
What are the key properties of (5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine?
(5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine has a molecular weight of 307.44 g/mol, XLogP of 5.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine is sourced from PubChem (CID 135202315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).