4-(pyridin-3-ylmethyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione

C17H16N2O2 — CID 2884356

IUPAC4-(pyridin-3-ylmethyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
SMILESO=C1C2C(C(=O)N1Cc1cccnc1)C1C=CC2C12CC2
InChIInChI=1S/C17H16N2O2/c20-15-13-11-3-4-12(17(11)5-6-17)14(13)16(21)19(15)9-10-2-1-7-18-8-10/h1-4,7-8,11-14H,5-6,9H2
InChIKeyBWNLPRKWWSDRAY-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.78
Rot. Bonds2

About 4-(pyridin-3-ylmethyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione

4-(pyridin-3-ylmethyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione (PubChem CID 2884356) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(pyridin-3-ylmethyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione.

Molecular Properties

Compound Name4-(pyridin-3-ylmethyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
PubChem CID2884356
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-(pyridin-3-ylmethyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
SMILESO=C1C2C(C(=O)N1Cc1cccnc1)C1C=CC2C12CC2
InChIInChI=1S/C17H16N2O2/c20-15-13-11-3-4-12(17(11)5-6-17)14(13)16(21)19(15)9-10-2-1-7-18-8-10/h1-4,7-8,11-14H,5-6,9H2
InChIKeyBWNLPRKWWSDRAY-UHFFFAOYSA-N
XLogP1.78
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-3-ylmethyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione?
The IUPAC name of 4-(pyridin-3-ylmethyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione (CID 2884356) is 4-(pyridin-3-ylmethyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione.
What is the SMILES notation for 4-(pyridin-3-ylmethyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione?
The canonical SMILES for 4-(pyridin-3-ylmethyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione is O=C1C2C(C(=O)N1Cc1cccnc1)C1C=CC2C12CC2.
What is the InChIKey of 4-(pyridin-3-ylmethyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione?
The InChIKey is BWNLPRKWWSDRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-15-13-11-3-4-12(17(11)5-6-17)14(13)16(21)19(15)9-10-2-1-7-18-8-10/h1-4,7-8,11-14H,5-6,9H2.
What are the key properties of 4-(pyridin-3-ylmethyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione?
4-(pyridin-3-ylmethyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione has a molecular weight of 280.33 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-ylmethyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione is sourced from PubChem (CID 2884356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).