18-azabicyclo[15.3.0]icosa-1(20),17-diene-3,8,19-trione

C19H27NO3 — CID 175768620

IUPAC18-azabicyclo[15.3.0]icosa-1(20),17-diene-3,8,19-trione
SMILESO=C1CCCCCCCCC2=NC(=O)C=C2CC(=O)CCCC1
InChIInChI=1S/C19H27NO3/c21-16-9-5-3-1-2-4-6-12-18-15(14-19(23)20-18)13-17(22)11-8-7-10-16/h14H,1-13H2
InChIKeySVFHGZAMJAILNM-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.12
Rot. Bonds

About 18-azabicyclo[15.3.0]icosa-1(20),17-diene-3,8,19-trione

18-azabicyclo[15.3.0]icosa-1(20),17-diene-3,8,19-trione (PubChem CID 175768620) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 18-azabicyclo[15.3.0]icosa-1(20),17-diene-3,8,19-trione.

Molecular Properties

Compound Name18-azabicyclo[15.3.0]icosa-1(20),17-diene-3,8,19-trione
PubChem CID175768620
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name18-azabicyclo[15.3.0]icosa-1(20),17-diene-3,8,19-trione
SMILESO=C1CCCCCCCCC2=NC(=O)C=C2CC(=O)CCCC1
InChIInChI=1S/C19H27NO3/c21-16-9-5-3-1-2-4-6-12-18-15(14-19(23)20-18)13-17(22)11-8-7-10-16/h14H,1-13H2
InChIKeySVFHGZAMJAILNM-UHFFFAOYSA-N
XLogP4.12
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 18-azabicyclo[15.3.0]icosa-1(20),17-diene-3,8,19-trione?
The IUPAC name of 18-azabicyclo[15.3.0]icosa-1(20),17-diene-3,8,19-trione (CID 175768620) is 18-azabicyclo[15.3.0]icosa-1(20),17-diene-3,8,19-trione.
What is the SMILES notation for 18-azabicyclo[15.3.0]icosa-1(20),17-diene-3,8,19-trione?
The canonical SMILES for 18-azabicyclo[15.3.0]icosa-1(20),17-diene-3,8,19-trione is O=C1CCCCCCCCC2=NC(=O)C=C2CC(=O)CCCC1.
What is the InChIKey of 18-azabicyclo[15.3.0]icosa-1(20),17-diene-3,8,19-trione?
The InChIKey is SVFHGZAMJAILNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c21-16-9-5-3-1-2-4-6-12-18-15(14-19(23)20-18)13-17(22)11-8-7-10-16/h14H,1-13H2.
What are the key properties of 18-azabicyclo[15.3.0]icosa-1(20),17-diene-3,8,19-trione?
18-azabicyclo[15.3.0]icosa-1(20),17-diene-3,8,19-trione has a molecular weight of 317.43 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18-azabicyclo[15.3.0]icosa-1(20),17-diene-3,8,19-trione is sourced from PubChem (CID 175768620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).