tert-butyl 1-(9-phenylfluoren-9-yl)-3-prop-2-enylazetidine-2-carboxylate

C30H31NO2 — CID 139490263

IUPACtert-butyl 1-(9-phenylfluoren-9-yl)-3-prop-2-enylazetidine-2-carboxylate
SMILESC=CCC1CN(C2(c3ccccc3)c3ccccc3-c3ccccc32)C1C(=O)OC(C)(C)C
InChIInChI=1S/C30H31NO2/c1-5-13-21-20-31(27(21)28(32)33-29(2,3)4)30(22-14-7-6-8-15-22)25-18-11-9-16-23(25)24-17-10-12-19-26(24)30/h5-12,14-19,21,27H,1,13,20H2,2-4H3
InChIKeyDWNVBBKZQUDDCA-UHFFFAOYSA-N
MW437.58 g/mol
LogP6.18
Rot. Bonds5

About tert-butyl 1-(9-phenylfluoren-9-yl)-3-prop-2-enylazetidine-2-carboxylate

tert-butyl 1-(9-phenylfluoren-9-yl)-3-prop-2-enylazetidine-2-carboxylate (PubChem CID 139490263) has the molecular formula C30H31NO2 and a molecular weight of 437.58 g/mol. Its IUPAC name is tert-butyl 1-(9-phenylfluoren-9-yl)-3-prop-2-enylazetidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(9-phenylfluoren-9-yl)-3-prop-2-enylazetidine-2-carboxylate
PubChem CID139490263
Molecular FormulaC30H31NO2
Molecular Weight437.58 g/mol
Exact Mass437.24
IUPAC Nametert-butyl 1-(9-phenylfluoren-9-yl)-3-prop-2-enylazetidine-2-carboxylate
SMILESC=CCC1CN(C2(c3ccccc3)c3ccccc3-c3ccccc32)C1C(=O)OC(C)(C)C
InChIInChI=1S/C30H31NO2/c1-5-13-21-20-31(27(21)28(32)33-29(2,3)4)30(22-14-7-6-8-15-22)25-18-11-9-16-23(25)24-17-10-12-19-26(24)30/h5-12,14-19,21,27H,1,13,20H2,2-4H3
InChIKeyDWNVBBKZQUDDCA-UHFFFAOYSA-N
XLogP6.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.58
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S,3R)-1-(9-phenylfluoren-9-yl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]azetidine-2-carboxylate
CID 155793432
(2S,3R)-3-(3-boronopropyl)-1-(9-phenylfluoren-9-yl)azetidine-2-carboxylic acid;3-[(2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1-(9-phenylfluoren-9-yl)azetidin-3-yl]propylboronic acid;2,2,2-trifluoroacetaldehyde
CID 158921105
methyl (2S)-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
CID 11811064
tert-butyl (2S,4S)-4-benzyl-5-[(3S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-[(9-phenylfluoren-9-yl)amino]butyl]-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
CID 10509959
ethyl (2S)-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
CID 10927413
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
tert-butyl (2R,3R)-3-(phenylmethoxymethyl)-1-prop-2-enylazetidine-2-carboxylate
CID 140904847
methyl (2S)-4-(2-aminoethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
CID 21341463
(2R,3S,4R)-2-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-3,4-diol
CID 10948738
tert-butyl (2S,3S)-1-benzhydryl-3-ethylazetidine-2-carboxylate
CID 68685656
1-O-tert-butyl 2-O-methyl (2S,3R,4R)-4-(benzylamino)-3-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 155793323

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(9-phenylfluoren-9-yl)-3-prop-2-enylazetidine-2-carboxylate?
The IUPAC name of tert-butyl 1-(9-phenylfluoren-9-yl)-3-prop-2-enylazetidine-2-carboxylate (CID 139490263) is tert-butyl 1-(9-phenylfluoren-9-yl)-3-prop-2-enylazetidine-2-carboxylate.
What is the SMILES notation for tert-butyl 1-(9-phenylfluoren-9-yl)-3-prop-2-enylazetidine-2-carboxylate?
The canonical SMILES for tert-butyl 1-(9-phenylfluoren-9-yl)-3-prop-2-enylazetidine-2-carboxylate is C=CCC1CN(C2(c3ccccc3)c3ccccc3-c3ccccc32)C1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 1-(9-phenylfluoren-9-yl)-3-prop-2-enylazetidine-2-carboxylate?
The InChIKey is DWNVBBKZQUDDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO2/c1-5-13-21-20-31(27(21)28(32)33-29(2,3)4)30(22-14-7-6-8-15-22)25-18-11-9-16-23(25)24-17-10-12-19-26(24)30/h5-12,14-19,21,27H,1,13,20H2,2-4H3.
What are the key properties of tert-butyl 1-(9-phenylfluoren-9-yl)-3-prop-2-enylazetidine-2-carboxylate?
tert-butyl 1-(9-phenylfluoren-9-yl)-3-prop-2-enylazetidine-2-carboxylate has a molecular weight of 437.58 g/mol, XLogP of 6.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(9-phenylfluoren-9-yl)-3-prop-2-enylazetidine-2-carboxylate is sourced from PubChem (CID 139490263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).