4-cyclopropyl-11-oxa-2,3,5,7-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one

C11H12N4O2 — CID 136696529

IUPAC4-cyclopropyl-11-oxa-2,3,5,7-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one
SMILESO=c1[nH]c2nc(C3CC3)nn2c2c1COCC2
InChIInChI=1S/C11H12N4O2/c16-10-7-5-17-4-3-8(7)15-11(13-10)12-9(14-15)6-1-2-6/h6H,1-5H2,(H,12,13,14,16)
InChIKeyUEMFCKOCYRCKAP-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.37
Rot. Bonds1

About 4-cyclopropyl-11-oxa-2,3,5,7-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one

4-cyclopropyl-11-oxa-2,3,5,7-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one (PubChem CID 136696529) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-cyclopropyl-11-oxa-2,3,5,7-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one.

Molecular Properties

Compound Name4-cyclopropyl-11-oxa-2,3,5,7-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one
PubChem CID136696529
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name4-cyclopropyl-11-oxa-2,3,5,7-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one
SMILESO=c1[nH]c2nc(C3CC3)nn2c2c1COCC2
InChIInChI=1S/C11H12N4O2/c16-10-7-5-17-4-3-8(7)15-11(13-10)12-9(14-15)6-1-2-6/h6H,1-5H2,(H,12,13,14,16)
InChIKeyUEMFCKOCYRCKAP-UHFFFAOYSA-N
XLogP0.37
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyclopropyl-11-oxa-2,3,5,7-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one with MolForge

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Launch Full Analysis

Related Compounds

4-amino-11-oxa-2,3,5,7-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one
CID 136696511
2-cyclopropyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137015331
2-(oxan-4-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696313
2-(4-propan-2-ylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696365
2-(2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-1-yl)acetic acid
CID 84690364
2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696263
11-oxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6)-dien-8-one
CID 105444954
2-butyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696247
4,12-dioxa-9-azatricyclo[8.4.0.02,7]tetradeca-1(10),2(7)-diene-8,14-dione
CID 156504665
2-(1-methylimidazol-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696378
6-cyclohexyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-8-one
CID 141123603
2-(1-aminocyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136765463

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-11-oxa-2,3,5,7-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one?
The IUPAC name of 4-cyclopropyl-11-oxa-2,3,5,7-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one (CID 136696529) is 4-cyclopropyl-11-oxa-2,3,5,7-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one.
What is the SMILES notation for 4-cyclopropyl-11-oxa-2,3,5,7-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one?
The canonical SMILES for 4-cyclopropyl-11-oxa-2,3,5,7-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one is O=c1[nH]c2nc(C3CC3)nn2c2c1COCC2.
What is the InChIKey of 4-cyclopropyl-11-oxa-2,3,5,7-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one?
The InChIKey is UEMFCKOCYRCKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c16-10-7-5-17-4-3-8(7)15-11(13-10)12-9(14-15)6-1-2-6/h6H,1-5H2,(H,12,13,14,16).
What are the key properties of 4-cyclopropyl-11-oxa-2,3,5,7-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one?
4-cyclopropyl-11-oxa-2,3,5,7-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one has a molecular weight of 232.24 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-11-oxa-2,3,5,7-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one is sourced from PubChem (CID 136696529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).