9-ethenyl-7-methylidenepentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2(10),3,8,11,15,17-heptaene-6,14-dione

C22H14O2 — CID 145486098

IUPAC9-ethenyl-7-methylidenepentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2(10),3,8,11,15,17-heptaene-6,14-dione
SMILESC=Cc1c2c(cc3c1cc1c4c(cccc43)C(=O)C1)CC(=O)C2=C
InChIInChI=1S/C22H14O2/c1-3-14-17-8-13-10-20(24)16-6-4-5-15(22(13)16)18(17)7-12-9-19(23)11(2)21(12)14/h3-8H,1-2,9-10H2
InChIKeyFZUZAHIUJCDZOK-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.51
Rot. Bonds1

About 9-ethenyl-7-methylidenepentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2(10),3,8,11,15,17-heptaene-6,14-dione

9-ethenyl-7-methylidenepentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2(10),3,8,11,15,17-heptaene-6,14-dione (PubChem CID 145486098) has the molecular formula C22H14O2 and a molecular weight of 310.35 g/mol. Its IUPAC name is 9-ethenyl-7-methylidenepentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2(10),3,8,11,15,17-heptaene-6,14-dione.

Molecular Properties

Compound Name9-ethenyl-7-methylidenepentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2(10),3,8,11,15,17-heptaene-6,14-dione
PubChem CID145486098
Molecular FormulaC22H14O2
Molecular Weight310.35 g/mol
Exact Mass310.10
IUPAC Name9-ethenyl-7-methylidenepentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2(10),3,8,11,15,17-heptaene-6,14-dione
SMILESC=Cc1c2c(cc3c1cc1c4c(cccc43)C(=O)C1)CC(=O)C2=C
InChIInChI=1S/C22H14O2/c1-3-14-17-8-13-10-20(24)16-6-4-5-15(22(13)16)18(17)7-12-9-19(23)11(2)21(12)14/h3-8H,1-2,9-10H2
InChIKeyFZUZAHIUJCDZOK-UHFFFAOYSA-N
XLogP4.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 145486097
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19-nitropentacyclo[11.6.1.02,16.03,12.06,11]icosa-1(19),2(16),3(12),4,6,8,10,13(20),17-nonaen-15-one
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CID 91187219

Frequently Asked Questions

What is the IUPAC name of 9-ethenyl-7-methylidenepentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2(10),3,8,11,15,17-heptaene-6,14-dione?
The IUPAC name of 9-ethenyl-7-methylidenepentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2(10),3,8,11,15,17-heptaene-6,14-dione (CID 145486098) is 9-ethenyl-7-methylidenepentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2(10),3,8,11,15,17-heptaene-6,14-dione.
What is the SMILES notation for 9-ethenyl-7-methylidenepentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2(10),3,8,11,15,17-heptaene-6,14-dione?
The canonical SMILES for 9-ethenyl-7-methylidenepentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2(10),3,8,11,15,17-heptaene-6,14-dione is C=Cc1c2c(cc3c1cc1c4c(cccc43)C(=O)C1)CC(=O)C2=C.
What is the InChIKey of 9-ethenyl-7-methylidenepentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2(10),3,8,11,15,17-heptaene-6,14-dione?
The InChIKey is FZUZAHIUJCDZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O2/c1-3-14-17-8-13-10-20(24)16-6-4-5-15(22(13)16)18(17)7-12-9-19(23)11(2)21(12)14/h3-8H,1-2,9-10H2.
What are the key properties of 9-ethenyl-7-methylidenepentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2(10),3,8,11,15,17-heptaene-6,14-dione?
9-ethenyl-7-methylidenepentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2(10),3,8,11,15,17-heptaene-6,14-dione has a molecular weight of 310.35 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenyl-7-methylidenepentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2(10),3,8,11,15,17-heptaene-6,14-dione is sourced from PubChem (CID 145486098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).