[(1Z)-1-(1-benzyl-4-methylidenepyrrolidin-3-ylidene)propan-2-yl]oxy-tert-butyl-dimethylsilane

C21H33NOSi — CID 14359848

IUPAC[(1Z)-1-(1-benzyl-4-methylidenepyrrolidin-3-ylidene)propan-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C1CN(Cc2ccccc2)C/C1=C\C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H33NOSi/c1-17-14-22(15-19-11-9-8-10-12-19)16-20(17)13-18(2)23-24(6,7)21(3,4)5/h8-13,18H,1,14-16H2,2-7H3/b20-13+
InChIKeyQHALDWPEDXGMJV-DEDYPNTBSA-N
MW343.59 g/mol
LogP5.40
Rot. Bonds5

About [(1Z)-1-(1-benzyl-4-methylidenepyrrolidin-3-ylidene)propan-2-yl]oxy-tert-butyl-dimethylsilane

[(1Z)-1-(1-benzyl-4-methylidenepyrrolidin-3-ylidene)propan-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 14359848) has the molecular formula C21H33NOSi and a molecular weight of 343.59 g/mol. Its IUPAC name is [(1Z)-1-(1-benzyl-4-methylidenepyrrolidin-3-ylidene)propan-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1Z)-1-(1-benzyl-4-methylidenepyrrolidin-3-ylidene)propan-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID14359848
Molecular FormulaC21H33NOSi
Molecular Weight343.59 g/mol
Exact Mass343.23
IUPAC Name[(1Z)-1-(1-benzyl-4-methylidenepyrrolidin-3-ylidene)propan-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C1CN(Cc2ccccc2)C/C1=C\C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H33NOSi/c1-17-14-22(15-19-11-9-8-10-12-19)16-20(17)13-18(2)23-24(6,7)21(3,4)5/h8-13,18H,1,14-16H2,2-7H3/b20-13+
InChIKeyQHALDWPEDXGMJV-DEDYPNTBSA-N
XLogP5.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.59
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pyrrolidine, 1-(phenylmethyl)-2,5-bis(trimethylsilyl)-
CID 11120308
[(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 135010175
[(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 135010273
(3S,4S)-1-Benzyl-4-[(tert-butyldimethylsilyl)oxy]pyrrolidin-3-ol
CID 10542787
(3R,4S)-1-benzyl-3-azido-4-(tert-butyldimethylsilyloxy)pyrrolidine
CID 10903712
(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy-trimethylsilane
CID 19810871
Benzyldimethyl(3-(triethoxysilyl)propyl)ammonium chloride
CID 3020617
[(3S,5S)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 176166454
(3S,4S)-1-Benzyl-3,4-bis((tert-butyldimethylsilyl)oxy)pyrrolidine
CID 15101628
(1-Benzyl-3-methylpiperidin-4-yl)oxy-tert-butyl-dimethylsilane
CID 90151330
(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy-triethylsilane
CID 164584456
2-[benzyl-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]amino]ethanol
CID 11425909

Frequently Asked Questions

What is the IUPAC name of [(1Z)-1-(1-benzyl-4-methylidenepyrrolidin-3-ylidene)propan-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1Z)-1-(1-benzyl-4-methylidenepyrrolidin-3-ylidene)propan-2-yl]oxy-tert-butyl-dimethylsilane (CID 14359848) is [(1Z)-1-(1-benzyl-4-methylidenepyrrolidin-3-ylidene)propan-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1Z)-1-(1-benzyl-4-methylidenepyrrolidin-3-ylidene)propan-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1Z)-1-(1-benzyl-4-methylidenepyrrolidin-3-ylidene)propan-2-yl]oxy-tert-butyl-dimethylsilane is C=C1CN(Cc2ccccc2)C/C1=C\C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1Z)-1-(1-benzyl-4-methylidenepyrrolidin-3-ylidene)propan-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is QHALDWPEDXGMJV-DEDYPNTBSA-N. The full InChI is InChI=1S/C21H33NOSi/c1-17-14-22(15-19-11-9-8-10-12-19)16-20(17)13-18(2)23-24(6,7)21(3,4)5/h8-13,18H,1,14-16H2,2-7H3/b20-13+.
What are the key properties of [(1Z)-1-(1-benzyl-4-methylidenepyrrolidin-3-ylidene)propan-2-yl]oxy-tert-butyl-dimethylsilane?
[(1Z)-1-(1-benzyl-4-methylidenepyrrolidin-3-ylidene)propan-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 343.59 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-1-(1-benzyl-4-methylidenepyrrolidin-3-ylidene)propan-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 14359848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).