(1S,2S,5R,8S)-8-[(2-methoxyphenyl)-dimethylsilyl]-6,7-diazabicyclo[3.2.1]oct-6-en-2-ol

C15H22N2O2Si — CID 46854015

IUPAC(1S,2S,5R,8S)-8-[(2-methoxyphenyl)-dimethylsilyl]-6,7-diazabicyclo[3.2.1]oct-6-en-2-ol
SMILESCOc1ccccc1[Si](C)(C)[C@@H]1[C@H]2N=N[C@@H]1CC[C@@H]2O
InChIInChI=1S/C15H22N2O2Si/c1-19-12-6-4-5-7-13(12)20(2,3)15-10-8-9-11(18)14(15)17-16-10/h4-7,10-11,14-15,18H,8-9H2,1-3H3/t10-,11+,14+,15+/m1/s1
InChIKeyQGUPZSPUTWSVPF-PKIAMQTDSA-N
MW290.44 g/mol
LogP2.34
Rot. Bonds3

About (1S,2S,5R,8S)-8-[(2-methoxyphenyl)-dimethylsilyl]-6,7-diazabicyclo[3.2.1]oct-6-en-2-ol

(1S,2S,5R,8S)-8-[(2-methoxyphenyl)-dimethylsilyl]-6,7-diazabicyclo[3.2.1]oct-6-en-2-ol (PubChem CID 46854015) has the molecular formula C15H22N2O2Si and a molecular weight of 290.44 g/mol. Its IUPAC name is (1S,2S,5R,8S)-8-[(2-methoxyphenyl)-dimethylsilyl]-6,7-diazabicyclo[3.2.1]oct-6-en-2-ol.

Molecular Properties

Compound Name(1S,2S,5R,8S)-8-[(2-methoxyphenyl)-dimethylsilyl]-6,7-diazabicyclo[3.2.1]oct-6-en-2-ol
PubChem CID46854015
Molecular FormulaC15H22N2O2Si
Molecular Weight290.44 g/mol
Exact Mass290.15
IUPAC Name(1S,2S,5R,8S)-8-[(2-methoxyphenyl)-dimethylsilyl]-6,7-diazabicyclo[3.2.1]oct-6-en-2-ol
SMILESCOc1ccccc1[Si](C)(C)[C@@H]1[C@H]2N=N[C@@H]1CC[C@@H]2O
InChIInChI=1S/C15H22N2O2Si/c1-19-12-6-4-5-7-13(12)20(2,3)15-10-8-9-11(18)14(15)17-16-10/h4-7,10-11,14-15,18H,8-9H2,1-3H3/t10-,11+,14+,15+/m1/s1
InChIKeyQGUPZSPUTWSVPF-PKIAMQTDSA-N
XLogP2.34
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R,8S)-8-[(2-methoxyphenyl)-dimethylsilyl]-6,7-diazabicyclo[3.2.1]oct-6-en-2-ol?
The IUPAC name of (1S,2S,5R,8S)-8-[(2-methoxyphenyl)-dimethylsilyl]-6,7-diazabicyclo[3.2.1]oct-6-en-2-ol (CID 46854015) is (1S,2S,5R,8S)-8-[(2-methoxyphenyl)-dimethylsilyl]-6,7-diazabicyclo[3.2.1]oct-6-en-2-ol.
What is the SMILES notation for (1S,2S,5R,8S)-8-[(2-methoxyphenyl)-dimethylsilyl]-6,7-diazabicyclo[3.2.1]oct-6-en-2-ol?
The canonical SMILES for (1S,2S,5R,8S)-8-[(2-methoxyphenyl)-dimethylsilyl]-6,7-diazabicyclo[3.2.1]oct-6-en-2-ol is COc1ccccc1[Si](C)(C)[C@@H]1[C@H]2N=N[C@@H]1CC[C@@H]2O.
What is the InChIKey of (1S,2S,5R,8S)-8-[(2-methoxyphenyl)-dimethylsilyl]-6,7-diazabicyclo[3.2.1]oct-6-en-2-ol?
The InChIKey is QGUPZSPUTWSVPF-PKIAMQTDSA-N. The full InChI is InChI=1S/C15H22N2O2Si/c1-19-12-6-4-5-7-13(12)20(2,3)15-10-8-9-11(18)14(15)17-16-10/h4-7,10-11,14-15,18H,8-9H2,1-3H3/t10-,11+,14+,15+/m1/s1.
What are the key properties of (1S,2S,5R,8S)-8-[(2-methoxyphenyl)-dimethylsilyl]-6,7-diazabicyclo[3.2.1]oct-6-en-2-ol?
(1S,2S,5R,8S)-8-[(2-methoxyphenyl)-dimethylsilyl]-6,7-diazabicyclo[3.2.1]oct-6-en-2-ol has a molecular weight of 290.44 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R,8S)-8-[(2-methoxyphenyl)-dimethylsilyl]-6,7-diazabicyclo[3.2.1]oct-6-en-2-ol is sourced from PubChem (CID 46854015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).