[(8S,10R)-17-methyl-10-prop-2-enyl-9-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-8-yl]mercury

C20H20HgN — CID 134970263

IUPAC[(8S,10R)-17-methyl-10-prop-2-enyl-9-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-8-yl]mercury
SMILESC=CC[C@@H]1c2ccccc2C2c3ccccc3[C@H]([Hg])N1C2C
InChIInChI=1S/C20H20N.Hg/c1-3-8-19-17-11-6-7-12-18(17)20-14(2)21(19)13-15-9-4-5-10-16(15)20;/h3-7,9-14,19-20H,1,8H2,2H3;/t14?,19-,20?;/m1./s1
InChIKeyNSAPDHUKYDZJID-QAQAMNOKSA-N
MW474.98 g/mol
LogP4.70
Rot. Bonds2

About [(8S,10R)-17-methyl-10-prop-2-enyl-9-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-8-yl]mercury

[(8S,10R)-17-methyl-10-prop-2-enyl-9-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-8-yl]mercury (PubChem CID 134970263) has the molecular formula C20H20HgN and a molecular weight of 474.98 g/mol. Its IUPAC name is [(8S,10R)-17-methyl-10-prop-2-enyl-9-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-8-yl]mercury.

Molecular Properties

Compound Name[(8S,10R)-17-methyl-10-prop-2-enyl-9-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-8-yl]mercury
PubChem CID134970263
Molecular FormulaC20H20HgN
Molecular Weight474.98 g/mol
Exact Mass476.13
IUPAC Name[(8S,10R)-17-methyl-10-prop-2-enyl-9-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-8-yl]mercury
SMILESC=CC[C@@H]1c2ccccc2C2c3ccccc3[C@H]([Hg])N1C2C
InChIInChI=1S/C20H20N.Hg/c1-3-8-19-17-11-6-7-12-18(17)20-14(2)21(19)13-15-9-4-5-10-16(15)20;/h3-7,9-14,19-20H,1,8H2,2H3;/t14?,19-,20?;/m1./s1
InChIKeyNSAPDHUKYDZJID-QAQAMNOKSA-N
XLogP4.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.98
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(8S,10R)-17-methyl-10-prop-2-enyl-9-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-8-yl]mercury?
The IUPAC name of [(8S,10R)-17-methyl-10-prop-2-enyl-9-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-8-yl]mercury (CID 134970263) is [(8S,10R)-17-methyl-10-prop-2-enyl-9-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-8-yl]mercury.
What is the SMILES notation for [(8S,10R)-17-methyl-10-prop-2-enyl-9-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-8-yl]mercury?
The canonical SMILES for [(8S,10R)-17-methyl-10-prop-2-enyl-9-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-8-yl]mercury is C=CC[C@@H]1c2ccccc2C2c3ccccc3[C@H]([Hg])N1C2C.
What is the InChIKey of [(8S,10R)-17-methyl-10-prop-2-enyl-9-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-8-yl]mercury?
The InChIKey is NSAPDHUKYDZJID-QAQAMNOKSA-N. The full InChI is InChI=1S/C20H20N.Hg/c1-3-8-19-17-11-6-7-12-18(17)20-14(2)21(19)13-15-9-4-5-10-16(15)20;/h3-7,9-14,19-20H,1,8H2,2H3;/t14?,19-,20?;/m1./s1.
What are the key properties of [(8S,10R)-17-methyl-10-prop-2-enyl-9-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-8-yl]mercury?
[(8S,10R)-17-methyl-10-prop-2-enyl-9-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-8-yl]mercury has a molecular weight of 474.98 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S,10R)-17-methyl-10-prop-2-enyl-9-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-8-yl]mercury is sourced from PubChem (CID 134970263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).