(1R,4R)-4-ethenyl-11-methyl-5-azatricyclo[8.3.0.01,5]tridec-10-ene-6,12-dione

C15H19NO2 — CID 53343701

IUPAC(1R,4R)-4-ethenyl-11-methyl-5-azatricyclo[8.3.0.01,5]tridec-10-ene-6,12-dione
SMILESC=C[C@H]1CC[C@@]23CC(=O)C(C)=C2CCCC(=O)N13
InChIInChI=1S/C15H19NO2/c1-3-11-7-8-15-9-13(17)10(2)12(15)5-4-6-14(18)16(11)15/h3,11H,1,4-9H2,2H3/t11-,15+/m0/s1
InChIKeyLYYFPRUYQJTBJE-XHDPSFHLSA-N
MW245.32 g/mol
LogP2.38
Rot. Bonds1

About (1R,4R)-4-ethenyl-11-methyl-5-azatricyclo[8.3.0.01,5]tridec-10-ene-6,12-dione

(1R,4R)-4-ethenyl-11-methyl-5-azatricyclo[8.3.0.01,5]tridec-10-ene-6,12-dione (PubChem CID 53343701) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (1R,4R)-4-ethenyl-11-methyl-5-azatricyclo[8.3.0.01,5]tridec-10-ene-6,12-dione.

Molecular Properties

Compound Name(1R,4R)-4-ethenyl-11-methyl-5-azatricyclo[8.3.0.01,5]tridec-10-ene-6,12-dione
PubChem CID53343701
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(1R,4R)-4-ethenyl-11-methyl-5-azatricyclo[8.3.0.01,5]tridec-10-ene-6,12-dione
SMILESC=C[C@H]1CC[C@@]23CC(=O)C(C)=C2CCCC(=O)N13
InChIInChI=1S/C15H19NO2/c1-3-11-7-8-15-9-13(17)10(2)12(15)5-4-6-14(18)16(11)15/h3,11H,1,4-9H2,2H3/t11-,15+/m0/s1
InChIKeyLYYFPRUYQJTBJE-XHDPSFHLSA-N
XLogP2.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,4R)-4-ethenyl-13-(1-hydroxypropyl)-11-methyl-5-azatricyclo[8.3.0.01,5]tridec-10-ene-6,12-dione
CID 53343702
(1S,4R,13S)-4-ethenyl-4'-methoxy-3',11-dimethylspiro[5-azatricyclo[8.3.0.01,5]tridec-10-ene-13,5'-furan]-2',12-dione
CID 53343707
(7R)-7-ethenyl-1-methoxyazepan-2-one
CID 102485106
(4aR)-5-hydroxy-1,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 142265754
1-acetyl-5-ethenylpyrrolidin-2-one
CID 19861403
(1R,5S,9R)-9-ethenyl-6-oxa-8-azatricyclo[6.4.0.01,5]dodecan-7-one
CID 11218018
(8R)-5-methyltricyclo[6.2.2.01,6]dodec-5-ene-4,9-dione
CID 138975883
4-ethenyl-1-ethylazetidin-2-one
CID 150972777
1-ethenyl-6,6-dimethylpiperidin-2-one
CID 140943105
(7R)-1-methyl-7-prop-2-enylazepan-2-one
CID 59072764
7-methyl-3a,4,5,6,9,10-hexahydro-3H-benzo[h][2]benzofuran-1,8-dione
CID 12935697
1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one
CID 130233518

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4-ethenyl-11-methyl-5-azatricyclo[8.3.0.01,5]tridec-10-ene-6,12-dione?
The IUPAC name of (1R,4R)-4-ethenyl-11-methyl-5-azatricyclo[8.3.0.01,5]tridec-10-ene-6,12-dione (CID 53343701) is (1R,4R)-4-ethenyl-11-methyl-5-azatricyclo[8.3.0.01,5]tridec-10-ene-6,12-dione.
What is the SMILES notation for (1R,4R)-4-ethenyl-11-methyl-5-azatricyclo[8.3.0.01,5]tridec-10-ene-6,12-dione?
The canonical SMILES for (1R,4R)-4-ethenyl-11-methyl-5-azatricyclo[8.3.0.01,5]tridec-10-ene-6,12-dione is C=C[C@H]1CC[C@@]23CC(=O)C(C)=C2CCCC(=O)N13.
What is the InChIKey of (1R,4R)-4-ethenyl-11-methyl-5-azatricyclo[8.3.0.01,5]tridec-10-ene-6,12-dione?
The InChIKey is LYYFPRUYQJTBJE-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-11-7-8-15-9-13(17)10(2)12(15)5-4-6-14(18)16(11)15/h3,11H,1,4-9H2,2H3/t11-,15+/m0/s1.
What are the key properties of (1R,4R)-4-ethenyl-11-methyl-5-azatricyclo[8.3.0.01,5]tridec-10-ene-6,12-dione?
(1R,4R)-4-ethenyl-11-methyl-5-azatricyclo[8.3.0.01,5]tridec-10-ene-6,12-dione has a molecular weight of 245.32 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-ethenyl-11-methyl-5-azatricyclo[8.3.0.01,5]tridec-10-ene-6,12-dione is sourced from PubChem (CID 53343701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).