11-oxospiro[5,7,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-12,3'-cyclopentane]-1'-carbonitrile

C14H13N5O — CID 170084068

IUPAC11-oxospiro[5,7,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-12,3'-cyclopentane]-1'-carbonitrile
SMILESN#CC1CCC2(C1)Nc1c(cnc3[nH]ccc13)NC2=O
InChIInChI=1S/C14H13N5O/c15-6-8-1-3-14(5-8)13(20)18-10-7-17-12-9(2-4-16-12)11(10)19-14/h2,4,7-8,19H,1,3,5H2,(H,16,17)(H,18,20)
InChIKeyMKAOUAOMHSTESA-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.99
Rot. Bonds

About 11-oxospiro[5,7,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-12,3'-cyclopentane]-1'-carbonitrile

11-oxospiro[5,7,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-12,3'-cyclopentane]-1'-carbonitrile (PubChem CID 170084068) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 11-oxospiro[5,7,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-12,3'-cyclopentane]-1'-carbonitrile.

Molecular Properties

Compound Name11-oxospiro[5,7,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-12,3'-cyclopentane]-1'-carbonitrile
PubChem CID170084068
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name11-oxospiro[5,7,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-12,3'-cyclopentane]-1'-carbonitrile
SMILESN#CC1CCC2(C1)Nc1c(cnc3[nH]ccc13)NC2=O
InChIInChI=1S/C14H13N5O/c15-6-8-1-3-14(5-8)13(20)18-10-7-17-12-9(2-4-16-12)11(10)19-14/h2,4,7-8,19H,1,3,5H2,(H,16,17)(H,18,20)
InChIKeyMKAOUAOMHSTESA-UHFFFAOYSA-N
XLogP1.99
TPSA93.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 11-oxospiro[5,7,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-12,3'-cyclopentane]-1'-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-oxospiro[5,7,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-12,3'-cyclopentane]-1'-carbonitrile?
The IUPAC name of 11-oxospiro[5,7,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-12,3'-cyclopentane]-1'-carbonitrile (CID 170084068) is 11-oxospiro[5,7,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-12,3'-cyclopentane]-1'-carbonitrile.
What is the SMILES notation for 11-oxospiro[5,7,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-12,3'-cyclopentane]-1'-carbonitrile?
The canonical SMILES for 11-oxospiro[5,7,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-12,3'-cyclopentane]-1'-carbonitrile is N#CC1CCC2(C1)Nc1c(cnc3[nH]ccc13)NC2=O.
What is the InChIKey of 11-oxospiro[5,7,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-12,3'-cyclopentane]-1'-carbonitrile?
The InChIKey is MKAOUAOMHSTESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c15-6-8-1-3-14(5-8)13(20)18-10-7-17-12-9(2-4-16-12)11(10)19-14/h2,4,7-8,19H,1,3,5H2,(H,16,17)(H,18,20).
What are the key properties of 11-oxospiro[5,7,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-12,3'-cyclopentane]-1'-carbonitrile?
11-oxospiro[5,7,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-12,3'-cyclopentane]-1'-carbonitrile has a molecular weight of 267.29 g/mol, XLogP of 1.99, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxospiro[5,7,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-12,3'-cyclopentane]-1'-carbonitrile is sourced from PubChem (CID 170084068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).