10-(2-oxo-2-pyrrolidin-1-ylethyl)-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-9-one

C14H14N4O3 — CID 95857097

IUPAC10-(2-oxo-2-pyrrolidin-1-ylethyl)-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-9-one
SMILESO=C(Cn1ncn2c(cc3occc32)c1=O)N1CCCC1
InChIInChI=1S/C14H14N4O3/c19-13(16-4-1-2-5-16)8-18-14(20)11-7-12-10(3-6-21-12)17(11)9-15-18/h3,6-7,9H,1-2,4-5,8H2
InChIKeyWOGFDRVXFDGLIT-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.86
Rot. Bonds2

About 10-(2-oxo-2-pyrrolidin-1-ylethyl)-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-9-one

10-(2-oxo-2-pyrrolidin-1-ylethyl)-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-9-one (PubChem CID 95857097) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 10-(2-oxo-2-pyrrolidin-1-ylethyl)-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-9-one.

Molecular Properties

Compound Name10-(2-oxo-2-pyrrolidin-1-ylethyl)-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-9-one
PubChem CID95857097
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name10-(2-oxo-2-pyrrolidin-1-ylethyl)-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-9-one
SMILESO=C(Cn1ncn2c(cc3occc32)c1=O)N1CCCC1
InChIInChI=1S/C14H14N4O3/c19-13(16-4-1-2-5-16)8-18-14(20)11-7-12-10(3-6-21-12)17(11)9-15-18/h3,6-7,9H,1-2,4-5,8H2
InChIKeyWOGFDRVXFDGLIT-UHFFFAOYSA-N
XLogP0.86
TPSA72.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-(2-oxo-2-pyrrolidin-1-ylethyl)-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(2-oxo-2-pyrrolidin-1-ylethyl)-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-9-one?
The IUPAC name of 10-(2-oxo-2-pyrrolidin-1-ylethyl)-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-9-one (CID 95857097) is 10-(2-oxo-2-pyrrolidin-1-ylethyl)-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-9-one.
What is the SMILES notation for 10-(2-oxo-2-pyrrolidin-1-ylethyl)-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-9-one?
The canonical SMILES for 10-(2-oxo-2-pyrrolidin-1-ylethyl)-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-9-one is O=C(Cn1ncn2c(cc3occc32)c1=O)N1CCCC1.
What is the InChIKey of 10-(2-oxo-2-pyrrolidin-1-ylethyl)-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-9-one?
The InChIKey is WOGFDRVXFDGLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c19-13(16-4-1-2-5-16)8-18-14(20)11-7-12-10(3-6-21-12)17(11)9-15-18/h3,6-7,9H,1-2,4-5,8H2.
What are the key properties of 10-(2-oxo-2-pyrrolidin-1-ylethyl)-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-9-one?
10-(2-oxo-2-pyrrolidin-1-ylethyl)-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-9-one has a molecular weight of 286.29 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-oxo-2-pyrrolidin-1-ylethyl)-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-9-one is sourced from PubChem (CID 95857097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).