7-azatricyclo[9.4.0.03,8]pentadeca-4,6,10,12,14-pentaen-9-one

C14H13NO — CID 90872925

IUPAC7-azatricyclo[9.4.0.03,8]pentadeca-4,6,10,12,14-pentaen-9-one
SMILESO=C1C=C2C=CC=CC2CC2C=CC=NC12
InChIInChI=1S/C14H13NO/c16-13-9-11-5-2-1-4-10(11)8-12-6-3-7-15-14(12)13/h1-7,9-10,12,14H,8H2
InChIKeyABCRVZRVZCKXCT-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.25
Rot. Bonds

About 7-azatricyclo[9.4.0.03,8]pentadeca-4,6,10,12,14-pentaen-9-one

7-azatricyclo[9.4.0.03,8]pentadeca-4,6,10,12,14-pentaen-9-one (PubChem CID 90872925) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 7-azatricyclo[9.4.0.03,8]pentadeca-4,6,10,12,14-pentaen-9-one.

Molecular Properties

Compound Name7-azatricyclo[9.4.0.03,8]pentadeca-4,6,10,12,14-pentaen-9-one
PubChem CID90872925
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name7-azatricyclo[9.4.0.03,8]pentadeca-4,6,10,12,14-pentaen-9-one
SMILESO=C1C=C2C=CC=CC2CC2C=CC=NC12
InChIInChI=1S/C14H13NO/c16-13-9-11-5-2-1-4-10(11)8-12-6-3-7-15-14(12)13/h1-7,9-10,12,14H,8H2
InChIKeyABCRVZRVZCKXCT-UHFFFAOYSA-N
XLogP2.25
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-azatricyclo[9.4.0.03,8]pentadeca-4,6,10,12,14-pentaen-9-one?
The IUPAC name of 7-azatricyclo[9.4.0.03,8]pentadeca-4,6,10,12,14-pentaen-9-one (CID 90872925) is 7-azatricyclo[9.4.0.03,8]pentadeca-4,6,10,12,14-pentaen-9-one.
What is the SMILES notation for 7-azatricyclo[9.4.0.03,8]pentadeca-4,6,10,12,14-pentaen-9-one?
The canonical SMILES for 7-azatricyclo[9.4.0.03,8]pentadeca-4,6,10,12,14-pentaen-9-one is O=C1C=C2C=CC=CC2CC2C=CC=NC12.
What is the InChIKey of 7-azatricyclo[9.4.0.03,8]pentadeca-4,6,10,12,14-pentaen-9-one?
The InChIKey is ABCRVZRVZCKXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c16-13-9-11-5-2-1-4-10(11)8-12-6-3-7-15-14(12)13/h1-7,9-10,12,14H,8H2.
What are the key properties of 7-azatricyclo[9.4.0.03,8]pentadeca-4,6,10,12,14-pentaen-9-one?
7-azatricyclo[9.4.0.03,8]pentadeca-4,6,10,12,14-pentaen-9-one has a molecular weight of 211.26 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azatricyclo[9.4.0.03,8]pentadeca-4,6,10,12,14-pentaen-9-one is sourced from PubChem (CID 90872925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).