methyl (4S)-5-(9-phenylfluoren-9-yl)-4,6-dihydro-1H-pyrrolo[2,3-c]pyrrole-4-carboxylate

C27H22N2O2 — CID 11407105

IUPACmethyl (4S)-5-(9-phenylfluoren-9-yl)-4,6-dihydro-1H-pyrrolo[2,3-c]pyrrole-4-carboxylate
SMILESCOC(=O)[C@@H]1c2cc[nH]c2CN1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C27H22N2O2/c1-31-26(30)25-21-15-16-28-24(21)17-29(25)27(18-9-3-2-4-10-18)22-13-7-5-11-19(22)20-12-6-8-14-23(20)27/h2-16,25,28H,17H2,1H3/t25-/m0/s1
InChIKeyUEUMXHRKNFBXSO-VWLOTQADSA-N
MW406.49 g/mol
LogP5.02
Rot. Bonds3

About methyl (4S)-5-(9-phenylfluoren-9-yl)-4,6-dihydro-1H-pyrrolo[2,3-c]pyrrole-4-carboxylate

methyl (4S)-5-(9-phenylfluoren-9-yl)-4,6-dihydro-1H-pyrrolo[2,3-c]pyrrole-4-carboxylate (PubChem CID 11407105) has the molecular formula C27H22N2O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is methyl (4S)-5-(9-phenylfluoren-9-yl)-4,6-dihydro-1H-pyrrolo[2,3-c]pyrrole-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-5-(9-phenylfluoren-9-yl)-4,6-dihydro-1H-pyrrolo[2,3-c]pyrrole-4-carboxylate
PubChem CID11407105
Molecular FormulaC27H22N2O2
Molecular Weight406.49 g/mol
Exact Mass406.17
IUPAC Namemethyl (4S)-5-(9-phenylfluoren-9-yl)-4,6-dihydro-1H-pyrrolo[2,3-c]pyrrole-4-carboxylate
SMILESCOC(=O)[C@@H]1c2cc[nH]c2CN1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C27H22N2O2/c1-31-26(30)25-21-15-16-28-24(21)17-29(25)27(18-9-3-2-4-10-18)22-13-7-5-11-19(22)20-12-6-8-14-23(20)27/h2-16,25,28H,17H2,1H3/t25-/m0/s1
InChIKeyUEUMXHRKNFBXSO-VWLOTQADSA-N
XLogP5.02
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (4S)-5-(9-phenylfluoren-9-yl)-4,6-dihydro-1H-pyrrolo[2,3-c]pyrrole-4-carboxylate with MolForge

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Related Compounds

methyl (2S)-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
CID 11811064
methyl (2S)-4-(2-aminoethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
CID 21341463
ethyl (2S)-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
CID 10927413
methyl (2S,3S)-3-[(R)-(2-bromophenyl)-hydroxymethyl]-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
CID 10650664
methyl (2S,3S)-3-[(S)-1,3-benzodioxol-5-yl(hydroxy)methyl]-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
CID 10530327
benzyl (2S,4S)-3,3-dimethyl-4-methylsulfanylcarbothioyloxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
CID 10840975
[(3S,5S)-4,4-dimethyl-1-(9-phenylfluoren-9-yl)-5-phenylmethoxycarbonylpyrrolidin-3-yl]oxymethanedithioic acid
CID 10603041
(2S)-N-methoxy-N-methyl-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxamide
CID 102365765
benzyl (2S,3S,4S)-3-(2-ethoxy-2-oxoethyl)-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
CID 71479639
benzyl (2S,3S,4R)-3-(2-ethoxy-2-oxoethyl)-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
CID 71479640
[(2S,3S,4S)-2-benzyl-4-iodo-1-(9-phenylfluoren-9-yl)pyrrolidin-3-yl] acetate
CID 100954255
tert-butyl 1-(9-phenylfluoren-9-yl)-3-prop-2-enylazetidine-2-carboxylate
CID 139490263

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-5-(9-phenylfluoren-9-yl)-4,6-dihydro-1H-pyrrolo[2,3-c]pyrrole-4-carboxylate?
The IUPAC name of methyl (4S)-5-(9-phenylfluoren-9-yl)-4,6-dihydro-1H-pyrrolo[2,3-c]pyrrole-4-carboxylate (CID 11407105) is methyl (4S)-5-(9-phenylfluoren-9-yl)-4,6-dihydro-1H-pyrrolo[2,3-c]pyrrole-4-carboxylate.
What is the SMILES notation for methyl (4S)-5-(9-phenylfluoren-9-yl)-4,6-dihydro-1H-pyrrolo[2,3-c]pyrrole-4-carboxylate?
The canonical SMILES for methyl (4S)-5-(9-phenylfluoren-9-yl)-4,6-dihydro-1H-pyrrolo[2,3-c]pyrrole-4-carboxylate is COC(=O)[C@@H]1c2cc[nH]c2CN1C1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of methyl (4S)-5-(9-phenylfluoren-9-yl)-4,6-dihydro-1H-pyrrolo[2,3-c]pyrrole-4-carboxylate?
The InChIKey is UEUMXHRKNFBXSO-VWLOTQADSA-N. The full InChI is InChI=1S/C27H22N2O2/c1-31-26(30)25-21-15-16-28-24(21)17-29(25)27(18-9-3-2-4-10-18)22-13-7-5-11-19(22)20-12-6-8-14-23(20)27/h2-16,25,28H,17H2,1H3/t25-/m0/s1.
What are the key properties of methyl (4S)-5-(9-phenylfluoren-9-yl)-4,6-dihydro-1H-pyrrolo[2,3-c]pyrrole-4-carboxylate?
methyl (4S)-5-(9-phenylfluoren-9-yl)-4,6-dihydro-1H-pyrrolo[2,3-c]pyrrole-4-carboxylate has a molecular weight of 406.49 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-5-(9-phenylfluoren-9-yl)-4,6-dihydro-1H-pyrrolo[2,3-c]pyrrole-4-carboxylate is sourced from PubChem (CID 11407105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).