(1R,2S,7R,8R)-4-piperidin-1-yltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione

C16H19NO2 — CID 98524807

IUPAC(1R,2S,7R,8R)-4-piperidin-1-yltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
SMILESO=C1C(N2CCCCC2)=CC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1
InChIInChI=1S/C16H19NO2/c18-13-9-12(17-6-2-1-3-7-17)16(19)15-11-5-4-10(8-11)14(13)15/h4-5,9-11,14-15H,1-3,6-8H2/t10-,11-,14-,15-/m0/s1
InChIKeyISAAUTCGJPKCCT-GVARAGBVSA-N
MW257.33 g/mol
LogP1.95
Rot. Bonds1

About (1R,2S,7R,8R)-4-piperidin-1-yltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione

(1R,2S,7R,8R)-4-piperidin-1-yltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione (PubChem CID 98524807) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (1R,2S,7R,8R)-4-piperidin-1-yltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione.

Molecular Properties

Compound Name(1R,2S,7R,8R)-4-piperidin-1-yltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
PubChem CID98524807
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(1R,2S,7R,8R)-4-piperidin-1-yltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
SMILESO=C1C(N2CCCCC2)=CC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1
InChIInChI=1S/C16H19NO2/c18-13-9-12(17-6-2-1-3-7-17)16(19)15-11-5-4-10(8-11)14(13)15/h4-5,9-11,14-15H,1-3,6-8H2/t10-,11-,14-,15-/m0/s1
InChIKeyISAAUTCGJPKCCT-GVARAGBVSA-N
XLogP1.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.95
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 (1R,2S,7R,8R)-4-piperidin-1-yltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
The IUPAC name of (1R,2S,7R,8R)-4-piperidin-1-yltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione (CID 98524807) is (1R,2S,7R,8R)-4-piperidin-1-yltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione.
What is the SMILES notation for (1R,2S,7R,8R)-4-piperidin-1-yltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
The canonical SMILES for (1R,2S,7R,8R)-4-piperidin-1-yltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione is O=C1C(N2CCCCC2)=CC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1.
What is the InChIKey of (1R,2S,7R,8R)-4-piperidin-1-yltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
The InChIKey is ISAAUTCGJPKCCT-GVARAGBVSA-N. The full InChI is InChI=1S/C16H19NO2/c18-13-9-12(17-6-2-1-3-7-17)16(19)15-11-5-4-10(8-11)14(13)15/h4-5,9-11,14-15H,1-3,6-8H2/t10-,11-,14-,15-/m0/s1.
What are the key properties of (1R,2S,7R,8R)-4-piperidin-1-yltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
(1R,2S,7R,8R)-4-piperidin-1-yltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione has a molecular weight of 257.33 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,7R,8R)-4-piperidin-1-yltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione is sourced from PubChem (CID 98524807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).