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

C16H17N3O2 — CID 126638072

IUPAC3-ethylspiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide
SMILESCCn1c(C(N)=O)cc2c1-c1ccncc1OC21CCC1
InChIInChI=1S/C16H17N3O2/c1-2-19-12(15(17)20)8-11-14(19)10-4-7-18-9-13(10)21-16(11)5-3-6-16/h4,7-9H,2-3,5-6H2,1H3,(H2,17,20)
InChIKeyHIFKRZORZOSOFC-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.44
Rot. Bonds2

About 3-ethylspiro[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-ethylspiro[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 126638072) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-ethylspiro[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-ethylspiro[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 CID126638072
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-ethylspiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide
SMILESCCn1c(C(N)=O)cc2c1-c1ccncc1OC21CCC1
InChIInChI=1S/C16H17N3O2/c1-2-19-12(15(17)20)8-11-14(19)10-4-7-18-9-13(10)21-16(11)5-3-6-16/h4,7-9H,2-3,5-6H2,1H3,(H2,17,20)
InChIKeyHIFKRZORZOSOFC-UHFFFAOYSA-N
XLogP2.44
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethylspiro[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-ethylspiro[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-ethylspiro[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 126638072) is 3-ethylspiro[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-ethylspiro[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-ethylspiro[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 CCn1c(C(N)=O)cc2c1-c1ccncc1OC21CCC1.
What is the InChIKey of 3-ethylspiro[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 HIFKRZORZOSOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-19-12(15(17)20)8-11-14(19)10-4-7-18-9-13(10)21-16(11)5-3-6-16/h4,7-9H,2-3,5-6H2,1H3,(H2,17,20).
What are the key properties of 3-ethylspiro[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-ethylspiro[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 283.33 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylspiro[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 126638072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).