8-oxo-6-phenyl-1,5-diazatricyclo[7.4.1.05,14]tetradeca-6,9(14)-diene-7-carbonitrile

C19H19N3O — CID 134923733

IUPAC8-oxo-6-phenyl-1,5-diazatricyclo[7.4.1.05,14]tetradeca-6,9(14)-diene-7-carbonitrile
SMILESN#Cc1c(-c2ccccc2)n2c3c(c1=O)CCCCN3CCC2
InChIInChI=1S/C19H19N3O/c20-13-16-17(14-7-2-1-3-8-14)22-12-6-11-21-10-5-4-9-15(18(16)23)19(21)22/h1-3,7-8H,4-6,9-12H2
InChIKeyVLWVLLQOSASICG-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.93
Rot. Bonds1

About 8-oxo-6-phenyl-1,5-diazatricyclo[7.4.1.05,14]tetradeca-6,9(14)-diene-7-carbonitrile

8-oxo-6-phenyl-1,5-diazatricyclo[7.4.1.05,14]tetradeca-6,9(14)-diene-7-carbonitrile (PubChem CID 134923733) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 8-oxo-6-phenyl-1,5-diazatricyclo[7.4.1.05,14]tetradeca-6,9(14)-diene-7-carbonitrile.

Molecular Properties

Compound Name8-oxo-6-phenyl-1,5-diazatricyclo[7.4.1.05,14]tetradeca-6,9(14)-diene-7-carbonitrile
PubChem CID134923733
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name8-oxo-6-phenyl-1,5-diazatricyclo[7.4.1.05,14]tetradeca-6,9(14)-diene-7-carbonitrile
SMILESN#Cc1c(-c2ccccc2)n2c3c(c1=O)CCCCN3CCC2
InChIInChI=1S/C19H19N3O/c20-13-16-17(14-7-2-1-3-8-14)22-12-6-11-21-10-5-4-9-15(18(16)23)19(21)22/h1-3,7-8H,4-6,9-12H2
InChIKeyVLWVLLQOSASICG-UHFFFAOYSA-N
XLogP2.93
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-oxo-6-phenyl-1,5-diazatricyclo[7.4.1.05,14]tetradeca-6,9(14)-diene-7-carbonitrile?
The IUPAC name of 8-oxo-6-phenyl-1,5-diazatricyclo[7.4.1.05,14]tetradeca-6,9(14)-diene-7-carbonitrile (CID 134923733) is 8-oxo-6-phenyl-1,5-diazatricyclo[7.4.1.05,14]tetradeca-6,9(14)-diene-7-carbonitrile.
What is the SMILES notation for 8-oxo-6-phenyl-1,5-diazatricyclo[7.4.1.05,14]tetradeca-6,9(14)-diene-7-carbonitrile?
The canonical SMILES for 8-oxo-6-phenyl-1,5-diazatricyclo[7.4.1.05,14]tetradeca-6,9(14)-diene-7-carbonitrile is N#Cc1c(-c2ccccc2)n2c3c(c1=O)CCCCN3CCC2.
What is the InChIKey of 8-oxo-6-phenyl-1,5-diazatricyclo[7.4.1.05,14]tetradeca-6,9(14)-diene-7-carbonitrile?
The InChIKey is VLWVLLQOSASICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c20-13-16-17(14-7-2-1-3-8-14)22-12-6-11-21-10-5-4-9-15(18(16)23)19(21)22/h1-3,7-8H,4-6,9-12H2.
What are the key properties of 8-oxo-6-phenyl-1,5-diazatricyclo[7.4.1.05,14]tetradeca-6,9(14)-diene-7-carbonitrile?
8-oxo-6-phenyl-1,5-diazatricyclo[7.4.1.05,14]tetradeca-6,9(14)-diene-7-carbonitrile has a molecular weight of 305.38 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-6-phenyl-1,5-diazatricyclo[7.4.1.05,14]tetradeca-6,9(14)-diene-7-carbonitrile is sourced from PubChem (CID 134923733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).