spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide

C14H13N3O2 — CID 126637660

IUPACspiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide
SMILESNC(=O)c1cc2c([nH]1)-c1ccncc1OC21CCC1
InChIInChI=1S/C14H13N3O2/c15-13(18)10-6-9-12(17-10)8-2-5-16-7-11(8)19-14(9)3-1-4-14/h2,5-7,17H,1,3-4H2,(H2,15,18)
InChIKeyITRXYWUAAUJIKA-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.95
Rot. Bonds1

About spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide

spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide (PubChem CID 126637660) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide.

Molecular Properties

Compound Namespiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide
PubChem CID126637660
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Namespiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide
SMILESNC(=O)c1cc2c([nH]1)-c1ccncc1OC21CCC1
InChIInChI=1S/C14H13N3O2/c15-13(18)10-6-9-12(17-10)8-2-5-16-7-11(8)19-14(9)3-1-4-14/h2,5-7,17H,1,3-4H2,(H2,15,18)
InChIKeyITRXYWUAAUJIKA-UHFFFAOYSA-N
XLogP1.95
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide?
The IUPAC name of spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide (CID 126637660) is spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide.
What is the SMILES notation for spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide?
The canonical SMILES for spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide is NC(=O)c1cc2c([nH]1)-c1ccncc1OC21CCC1.
What is the InChIKey of spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide?
The InChIKey is ITRXYWUAAUJIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-13(18)10-6-9-12(17-10)8-2-5-16-7-11(8)19-14(9)3-1-4-14/h2,5-7,17H,1,3-4H2,(H2,15,18).
What are the key properties of spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide?
spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide is sourced from PubChem (CID 126637660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).