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

C15H15N3O2 — CID 126638145

IUPAC3-methylspiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide
SMILESCn1c(C(N)=O)cc2c1-c1ccncc1OC21CCC1
InChIInChI=1S/C15H15N3O2/c1-18-11(14(16)19)7-10-13(18)9-3-6-17-8-12(9)20-15(10)4-2-5-15/h3,6-8H,2,4-5H2,1H3,(H2,16,19)
InChIKeyYHBCYQIXVZFFIV-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.96
Rot. Bonds1

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

3-methylspiro[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 126638145) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-methylspiro[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 Name3-methylspiro[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 CID126638145
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-methylspiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide
SMILESCn1c(C(N)=O)cc2c1-c1ccncc1OC21CCC1
InChIInChI=1S/C15H15N3O2/c1-18-11(14(16)19)7-10-13(18)9-3-6-17-8-12(9)20-15(10)4-2-5-15/h3,6-8H,2,4-5H2,1H3,(H2,16,19)
InChIKeyYHBCYQIXVZFFIV-UHFFFAOYSA-N
XLogP1.96
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylspiro[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 3-methylspiro[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 126638145) is 3-methylspiro[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 3-methylspiro[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 3-methylspiro[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 Cn1c(C(N)=O)cc2c1-c1ccncc1OC21CCC1.
What is the InChIKey of 3-methylspiro[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 YHBCYQIXVZFFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-18-11(14(16)19)7-10-13(18)9-3-6-17-8-12(9)20-15(10)4-2-5-15/h3,6-8H,2,4-5H2,1H3,(H2,16,19).
What are the key properties of 3-methylspiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide?
3-methylspiro[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 269.30 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylspiro[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 126638145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).