1,8-diazabicyclo[5.4.0]undeca-2,4,5,7,9-pentaen-11-one;ethane

C11H12N2O — CID 142933415

IUPAC1,8-diazabicyclo[5.4.0]undeca-2,4,5,7,9-pentaen-11-one;ethane
SMILESCC.O=c1ccnc2n1C=CC=C=C2
InChIInChI=1S/C9H6N2O.C2H6/c12-9-5-6-10-8-4-2-1-3-7-11(8)9;1-2/h1,3-7H;1-2H3
InChIKeyUZEIFOSIGMYGMR-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.92
Rot. Bonds

About 1,8-diazabicyclo[5.4.0]undeca-2,4,5,7,9-pentaen-11-one;ethane

1,8-diazabicyclo[5.4.0]undeca-2,4,5,7,9-pentaen-11-one;ethane (PubChem CID 142933415) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1,8-diazabicyclo[5.4.0]undeca-2,4,5,7,9-pentaen-11-one;ethane.

Molecular Properties

Compound Name1,8-diazabicyclo[5.4.0]undeca-2,4,5,7,9-pentaen-11-one;ethane
PubChem CID142933415
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1,8-diazabicyclo[5.4.0]undeca-2,4,5,7,9-pentaen-11-one;ethane
SMILESCC.O=c1ccnc2n1C=CC=C=C2
InChIInChI=1S/C9H6N2O.C2H6/c12-9-5-6-10-8-4-2-1-3-7-11(8)9;1-2/h1,3-7H;1-2H3
InChIKeyUZEIFOSIGMYGMR-UHFFFAOYSA-N
XLogP1.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,8-diazabicyclo[5.4.0]undeca-2,4,5,7,9-pentaen-11-one;ethane with MolForge

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Related Compounds

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CID 354785
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CID 278093
2,3-Dimethyl-4(3H)-pyrimidinone
CID 544933
6-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 529103
1-Ethyl-2-methyl-1,4-dihydropyrimidin-4-one
CID 130153255
5H-pyrido[1,2-a][1,3]diazepin-2-one
CID 139231818
7-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one
CID 139231819
6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 53640157
6-Methyl-2H-pyrido[1,2-a]pyrimidin-2-one
CID 21766687
7-Fluoro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 68508522
1-(5-Fluoro-2-methylimino-1-pyridinyl)ethanone
CID 123947388

Frequently Asked Questions

What is the IUPAC name of 1,8-diazabicyclo[5.4.0]undeca-2,4,5,7,9-pentaen-11-one;ethane?
The IUPAC name of 1,8-diazabicyclo[5.4.0]undeca-2,4,5,7,9-pentaen-11-one;ethane (CID 142933415) is 1,8-diazabicyclo[5.4.0]undeca-2,4,5,7,9-pentaen-11-one;ethane.
What is the SMILES notation for 1,8-diazabicyclo[5.4.0]undeca-2,4,5,7,9-pentaen-11-one;ethane?
The canonical SMILES for 1,8-diazabicyclo[5.4.0]undeca-2,4,5,7,9-pentaen-11-one;ethane is CC.O=c1ccnc2n1C=CC=C=C2.
What is the InChIKey of 1,8-diazabicyclo[5.4.0]undeca-2,4,5,7,9-pentaen-11-one;ethane?
The InChIKey is UZEIFOSIGMYGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O.C2H6/c12-9-5-6-10-8-4-2-1-3-7-11(8)9;1-2/h1,3-7H;1-2H3.
What are the key properties of 1,8-diazabicyclo[5.4.0]undeca-2,4,5,7,9-pentaen-11-one;ethane?
1,8-diazabicyclo[5.4.0]undeca-2,4,5,7,9-pentaen-11-one;ethane has a molecular weight of 188.23 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diazabicyclo[5.4.0]undeca-2,4,5,7,9-pentaen-11-one;ethane is sourced from PubChem (CID 142933415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).