6-azatetracyclo[10.2.1.02,11.04,9]pentadec-13-ene-5,7-dione

C14H17NO2 — CID 70612312

IUPAC6-azatetracyclo[10.2.1.02,11.04,9]pentadec-13-ene-5,7-dione
SMILESO=C1CC2CC3C4C=CC(C4)C3CC2C(=O)N1
InChIInChI=1S/C14H17NO2/c16-13-5-9-4-10-7-1-2-8(3-7)11(10)6-12(9)14(17)15-13/h1-2,7-12H,3-6H2,(H,15,16,17)
InChIKeyVWUDASOJGHDKPJ-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.50
Rot. Bonds

About 6-azatetracyclo[10.2.1.02,11.04,9]pentadec-13-ene-5,7-dione

6-azatetracyclo[10.2.1.02,11.04,9]pentadec-13-ene-5,7-dione (PubChem CID 70612312) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 6-azatetracyclo[10.2.1.02,11.04,9]pentadec-13-ene-5,7-dione.

Molecular Properties

Compound Name6-azatetracyclo[10.2.1.02,11.04,9]pentadec-13-ene-5,7-dione
PubChem CID70612312
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name6-azatetracyclo[10.2.1.02,11.04,9]pentadec-13-ene-5,7-dione
SMILESO=C1CC2CC3C4C=CC(C4)C3CC2C(=O)N1
InChIInChI=1S/C14H17NO2/c16-13-5-9-4-10-7-1-2-8(3-7)11(10)6-12(9)14(17)15-13/h1-2,7-12H,3-6H2,(H,15,16,17)
InChIKeyVWUDASOJGHDKPJ-UHFFFAOYSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tricyclo[5.2.1.02,6]dec-8-en-4-one
CID 548712
(1S,2R,7S,8R)-3-azatricyclo[6.2.1.02,7]undec-9-en-4-one
CID 122205081
3-cyclopentylpyrrolidine-2,5-dione
CID 14918416
heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene
CID 22949633
3-(2,3-dimethylcyclobutyl)pyrrolidine-2,5-dione
CID 130729555
3-cyclohexylpyrrolidine-2,5-dione
CID 12931268
3-piperidin-4-ylpyrrolidine-2,5-dione
CID 173255844
3-(aziridin-2-yl)pyrrolidine-2,5-dione
CID 167096891
(3aS,4aR,7aS,8aR)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 102422386
3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine-2,5-dione
CID 157420310
3-(2,4,4-trimethylcyclohexyl)pyrrolidine-2,5-dione
CID 81314602
(1R,2S,6R,7S)-3-oxatricyclo[5.2.1.02,6]dec-8-en-4-one
CID 10464494

Frequently Asked Questions

What is the IUPAC name of 6-azatetracyclo[10.2.1.02,11.04,9]pentadec-13-ene-5,7-dione?
The IUPAC name of 6-azatetracyclo[10.2.1.02,11.04,9]pentadec-13-ene-5,7-dione (CID 70612312) is 6-azatetracyclo[10.2.1.02,11.04,9]pentadec-13-ene-5,7-dione.
What is the SMILES notation for 6-azatetracyclo[10.2.1.02,11.04,9]pentadec-13-ene-5,7-dione?
The canonical SMILES for 6-azatetracyclo[10.2.1.02,11.04,9]pentadec-13-ene-5,7-dione is O=C1CC2CC3C4C=CC(C4)C3CC2C(=O)N1.
What is the InChIKey of 6-azatetracyclo[10.2.1.02,11.04,9]pentadec-13-ene-5,7-dione?
The InChIKey is VWUDASOJGHDKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-13-5-9-4-10-7-1-2-8(3-7)11(10)6-12(9)14(17)15-13/h1-2,7-12H,3-6H2,(H,15,16,17).
What are the key properties of 6-azatetracyclo[10.2.1.02,11.04,9]pentadec-13-ene-5,7-dione?
6-azatetracyclo[10.2.1.02,11.04,9]pentadec-13-ene-5,7-dione has a molecular weight of 231.29 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azatetracyclo[10.2.1.02,11.04,9]pentadec-13-ene-5,7-dione is sourced from PubChem (CID 70612312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).