(8Z)-tetracyclo[8.1.0.02,4.05,7]undeca-1(10),2(4),5(7),8-tetraene-3,6,11-trione

C11H2O3 — CID 139291542

IUPAC(8Z)-tetracyclo[8.1.0.02,4.05,7]undeca-1(10),2(4),5(7),8-tetraene-3,6,11-trione
SMILESO=c1c2c1-c1c(c1=O)-c1c(c1=O)/C=C\2
InChIInChI=1S/C11H2O3/c12-9-3-1-2-4-6(10(4)13)8-7(5(3)9)11(8)14/h1-2H/b2-1-,3-1+,4-2+,7-5-,8-6-
InChIKeyUYPKPZPITBNYPX-NJCVVQKVSA-N
MW182.13 g/mol
LogP0.21
Rot. Bonds

About (8Z)-tetracyclo[8.1.0.02,4.05,7]undeca-1(10),2(4),5(7),8-tetraene-3,6,11-trione

(8Z)-tetracyclo[8.1.0.02,4.05,7]undeca-1(10),2(4),5(7),8-tetraene-3,6,11-trione (PubChem CID 139291542) has the molecular formula C11H2O3 and a molecular weight of 182.13 g/mol. Its IUPAC name is (8Z)-tetracyclo[8.1.0.02,4.05,7]undeca-1(10),2(4),5(7),8-tetraene-3,6,11-trione.

Molecular Properties

Compound Name(8Z)-tetracyclo[8.1.0.02,4.05,7]undeca-1(10),2(4),5(7),8-tetraene-3,6,11-trione
PubChem CID139291542
Molecular FormulaC11H2O3
Molecular Weight182.13 g/mol
Exact Mass182.00
IUPAC Name(8Z)-tetracyclo[8.1.0.02,4.05,7]undeca-1(10),2(4),5(7),8-tetraene-3,6,11-trione
SMILESO=c1c2c1-c1c(c1=O)-c1c(c1=O)/C=C\2
InChIInChI=1S/C11H2O3/c12-9-3-1-2-4-6(10(4)13)8-7(5(3)9)11(8)14/h1-2H/b2-1-,3-1+,4-2+,7-5-,8-6-
InChIKeyUYPKPZPITBNYPX-NJCVVQKVSA-N
XLogP0.21
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.13
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8Z)-tetracyclo[8.1.0.02,4.05,7]undeca-1(10),2(4),5(7),8-tetraene-3,6,11-trione?
The IUPAC name of (8Z)-tetracyclo[8.1.0.02,4.05,7]undeca-1(10),2(4),5(7),8-tetraene-3,6,11-trione (CID 139291542) is (8Z)-tetracyclo[8.1.0.02,4.05,7]undeca-1(10),2(4),5(7),8-tetraene-3,6,11-trione.
What is the SMILES notation for (8Z)-tetracyclo[8.1.0.02,4.05,7]undeca-1(10),2(4),5(7),8-tetraene-3,6,11-trione?
The canonical SMILES for (8Z)-tetracyclo[8.1.0.02,4.05,7]undeca-1(10),2(4),5(7),8-tetraene-3,6,11-trione is O=c1c2c1-c1c(c1=O)-c1c(c1=O)/C=C\2.
What is the InChIKey of (8Z)-tetracyclo[8.1.0.02,4.05,7]undeca-1(10),2(4),5(7),8-tetraene-3,6,11-trione?
The InChIKey is UYPKPZPITBNYPX-NJCVVQKVSA-N. The full InChI is InChI=1S/C11H2O3/c12-9-3-1-2-4-6(10(4)13)8-7(5(3)9)11(8)14/h1-2H/b2-1-,3-1+,4-2+,7-5-,8-6-.
What are the key properties of (8Z)-tetracyclo[8.1.0.02,4.05,7]undeca-1(10),2(4),5(7),8-tetraene-3,6,11-trione?
(8Z)-tetracyclo[8.1.0.02,4.05,7]undeca-1(10),2(4),5(7),8-tetraene-3,6,11-trione has a molecular weight of 182.13 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-tetracyclo[8.1.0.02,4.05,7]undeca-1(10),2(4),5(7),8-tetraene-3,6,11-trione is sourced from PubChem (CID 139291542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).