10-oxo-2,9-diazatricyclo[9.5.0.03,8]hexadeca-3,5,7-triene-7-carbonitrile

C15H17N3O — CID 104720312

IUPAC10-oxo-2,9-diazatricyclo[9.5.0.03,8]hexadeca-3,5,7-triene-7-carbonitrile
SMILESN#Cc1cccc2c1NC(=O)C1CCCCCC1N2
InChIInChI=1S/C15H17N3O/c16-9-10-5-4-8-13-14(10)18-15(19)11-6-2-1-3-7-12(11)17-13/h4-5,8,11-12,17H,1-3,6-7H2,(H,18,19)
InChIKeyUZMCJGFYWQQNHD-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.87
Rot. Bonds

About 10-oxo-2,9-diazatricyclo[9.5.0.03,8]hexadeca-3,5,7-triene-7-carbonitrile

10-oxo-2,9-diazatricyclo[9.5.0.03,8]hexadeca-3,5,7-triene-7-carbonitrile (PubChem CID 104720312) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 10-oxo-2,9-diazatricyclo[9.5.0.03,8]hexadeca-3,5,7-triene-7-carbonitrile.

Molecular Properties

Compound Name10-oxo-2,9-diazatricyclo[9.5.0.03,8]hexadeca-3,5,7-triene-7-carbonitrile
PubChem CID104720312
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name10-oxo-2,9-diazatricyclo[9.5.0.03,8]hexadeca-3,5,7-triene-7-carbonitrile
SMILESN#Cc1cccc2c1NC(=O)C1CCCCCC1N2
InChIInChI=1S/C15H17N3O/c16-9-10-5-4-8-13-14(10)18-15(19)11-6-2-1-3-7-12(11)17-13/h4-5,8,11-12,17H,1-3,6-7H2,(H,18,19)
InChIKeyUZMCJGFYWQQNHD-UHFFFAOYSA-N
XLogP2.87
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 10-oxo-2,9-diazatricyclo[9.5.0.03,8]hexadeca-3,5,7-triene-7-carbonitrile with MolForge

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Related Compounds

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2-(1-methylpyrazol-4-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carbonitrile
CID 104720318
4-oxo-2-propan-2-yl-1,2,3,5-tetrahydro-1,5-benzodiazepine-6-carbonitrile
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(12R)-13-azabicyclo[10.2.0]tetradecan-14-one
CID 58388573
2,3,4,4a,9a,10-hexahydro-1H-acridin-9-one
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(1R,4R,9R,12R,17R,20R)-2,10,18-triazatetracyclo[18.4.0.04,9.012,17]tetracosane-3,11,19-trione
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(4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole
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3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-6-carbonitrile
CID 105356163
7-bromo-2,3,3a,5,10,10a-hexahydro-1H-cyclopenta[b][1,5]benzodiazepin-4-one
CID 79296684
4-methyl-5,6a,7,8,9,10,10a,11-octahydropyrido[2,3-b][1,4]benzodiazepin-6-one
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Frequently Asked Questions

What is the IUPAC name of 10-oxo-2,9-diazatricyclo[9.5.0.03,8]hexadeca-3,5,7-triene-7-carbonitrile?
The IUPAC name of 10-oxo-2,9-diazatricyclo[9.5.0.03,8]hexadeca-3,5,7-triene-7-carbonitrile (CID 104720312) is 10-oxo-2,9-diazatricyclo[9.5.0.03,8]hexadeca-3,5,7-triene-7-carbonitrile.
What is the SMILES notation for 10-oxo-2,9-diazatricyclo[9.5.0.03,8]hexadeca-3,5,7-triene-7-carbonitrile?
The canonical SMILES for 10-oxo-2,9-diazatricyclo[9.5.0.03,8]hexadeca-3,5,7-triene-7-carbonitrile is N#Cc1cccc2c1NC(=O)C1CCCCCC1N2.
What is the InChIKey of 10-oxo-2,9-diazatricyclo[9.5.0.03,8]hexadeca-3,5,7-triene-7-carbonitrile?
The InChIKey is UZMCJGFYWQQNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-9-10-5-4-8-13-14(10)18-15(19)11-6-2-1-3-7-12(11)17-13/h4-5,8,11-12,17H,1-3,6-7H2,(H,18,19).
What are the key properties of 10-oxo-2,9-diazatricyclo[9.5.0.03,8]hexadeca-3,5,7-triene-7-carbonitrile?
10-oxo-2,9-diazatricyclo[9.5.0.03,8]hexadeca-3,5,7-triene-7-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 2.87, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-2,9-diazatricyclo[9.5.0.03,8]hexadeca-3,5,7-triene-7-carbonitrile is sourced from PubChem (CID 104720312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).