1-(1'-ethylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine]-3-yl)ethanone

C17H26N2O2 — CID 2890657

IUPAC1-(1'-ethylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine]-3-yl)ethanone
SMILESCCN1CCC2(CC1)CC1CC3C=CC1(CN2C(C)=O)O3
InChIInChI=1S/C17H26N2O2/c1-3-18-8-6-16(7-9-18)11-14-10-15-4-5-17(14,21-15)12-19(16)13(2)20/h4-5,14-15H,3,6-12H2,1-2H3
InChIKeyILVPOFGJZSFGPB-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.81
Rot. Bonds1

About 1-(1'-ethylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine]-3-yl)ethanone

1-(1'-ethylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine]-3-yl)ethanone (PubChem CID 2890657) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(1'-ethylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine]-3-yl)ethanone.

Molecular Properties

Compound Name1-(1'-ethylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine]-3-yl)ethanone
PubChem CID2890657
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(1'-ethylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine]-3-yl)ethanone
SMILESCCN1CCC2(CC1)CC1CC3C=CC1(CN2C(C)=O)O3
InChIInChI=1S/C17H26N2O2/c1-3-18-8-6-16(7-9-18)11-14-10-15-4-5-17(14,21-15)12-19(16)13(2)20/h4-5,14-15H,3,6-12H2,1-2H3
InChIKeyILVPOFGJZSFGPB-UHFFFAOYSA-N
XLogP1.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1'-ethylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine]-3-yl)ethanone?
The IUPAC name of 1-(1'-ethylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine]-3-yl)ethanone (CID 2890657) is 1-(1'-ethylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine]-3-yl)ethanone.
What is the SMILES notation for 1-(1'-ethylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine]-3-yl)ethanone?
The canonical SMILES for 1-(1'-ethylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine]-3-yl)ethanone is CCN1CCC2(CC1)CC1CC3C=CC1(CN2C(C)=O)O3.
What is the InChIKey of 1-(1'-ethylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine]-3-yl)ethanone?
The InChIKey is ILVPOFGJZSFGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-18-8-6-16(7-9-18)11-14-10-15-4-5-17(14,21-15)12-19(16)13(2)20/h4-5,14-15H,3,6-12H2,1-2H3.
What are the key properties of 1-(1'-ethylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine]-3-yl)ethanone?
1-(1'-ethylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine]-3-yl)ethanone has a molecular weight of 290.41 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1'-ethylspiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,4'-piperidine]-3-yl)ethanone is sourced from PubChem (CID 2890657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).