(10Z,12Z)-9-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-8-one

C14H13NO — CID 134973496

IUPAC(10Z,12Z)-9-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-8-one
SMILESO=C1c2ccccc2C2/C=C\C=C/N1CC2
InChIInChI=1S/C14H13NO/c16-14-13-7-2-1-6-12(13)11-5-3-4-9-15(14)10-8-11/h1-7,9,11H,8,10H2/b5-3-,9-4-
InChIKeyOQLXNXQGCVJILF-SIJZXUBCSA-N
MW211.26 g/mol
LogP2.70
Rot. Bonds

About (10Z,12Z)-9-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-8-one

(10Z,12Z)-9-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-8-one (PubChem CID 134973496) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is (10Z,12Z)-9-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-8-one.

Molecular Properties

Compound Name(10Z,12Z)-9-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-8-one
PubChem CID134973496
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name(10Z,12Z)-9-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-8-one
SMILESO=C1c2ccccc2C2/C=C\C=C/N1CC2
InChIInChI=1S/C14H13NO/c16-14-13-7-2-1-6-12(13)11-5-3-4-9-15(14)10-8-11/h1-7,9,11H,8,10H2/b5-3-,9-4-
InChIKeyOQLXNXQGCVJILF-SIJZXUBCSA-N
XLogP2.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (10Z,12Z)-9-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-8-one?
The IUPAC name of (10Z,12Z)-9-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-8-one (CID 134973496) is (10Z,12Z)-9-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-8-one.
What is the SMILES notation for (10Z,12Z)-9-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-8-one?
The canonical SMILES for (10Z,12Z)-9-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-8-one is O=C1c2ccccc2C2/C=C\C=C/N1CC2.
What is the InChIKey of (10Z,12Z)-9-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-8-one?
The InChIKey is OQLXNXQGCVJILF-SIJZXUBCSA-N. The full InChI is InChI=1S/C14H13NO/c16-14-13-7-2-1-6-12(13)11-5-3-4-9-15(14)10-8-11/h1-7,9,11H,8,10H2/b5-3-,9-4-.
What are the key properties of (10Z,12Z)-9-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-8-one?
(10Z,12Z)-9-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-8-one has a molecular weight of 211.26 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z,12Z)-9-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-8-one is sourced from PubChem (CID 134973496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).