8-propan-2-yl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-1-ene-3,5-dione

C15H19NO2 — CID 140540510

IUPAC8-propan-2-yl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-1-ene-3,5-dione
SMILESC=CCN1C(=O)C2=C3CC(C(C)C)C(C3)C2C1=O
InChIInChI=1S/C15H19NO2/c1-4-5-16-14(17)12-9-6-10(8(2)3)11(7-9)13(12)15(16)18/h4,8,10-11,13H,1,5-7H2,2-3H3
InChIKeyZYILXRGYZFRADP-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.15
Rot. Bonds3

About 8-propan-2-yl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-1-ene-3,5-dione

8-propan-2-yl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-1-ene-3,5-dione (PubChem CID 140540510) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 8-propan-2-yl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-1-ene-3,5-dione.

Molecular Properties

Compound Name8-propan-2-yl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-1-ene-3,5-dione
PubChem CID140540510
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name8-propan-2-yl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-1-ene-3,5-dione
SMILESC=CCN1C(=O)C2=C3CC(C(C)C)C(C3)C2C1=O
InChIInChI=1S/C15H19NO2/c1-4-5-16-14(17)12-9-6-10(8(2)3)11(7-9)13(12)15(16)18/h4,8,10-11,13H,1,5-7H2,2-3H3
InChIKeyZYILXRGYZFRADP-UHFFFAOYSA-N
XLogP2.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
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

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CID 87332236
(3R)-3-methyl-1-prop-2-enylpyrrolidine-2,5-dione
CID 15757783
5-propan-2-yl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
CID 3028854
2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 13184973
1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione
CID 15620660
8-(2-methylpropyl)-4-prop-2-enyl-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 87332392
10-hexyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione
CID 67269330
1-methyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione
CID 67269955
cis-(3S,4S)-3-ethenyl-4-propan-2-ylcyclohexan-1-one
CID 14007129
(5S)-5-ethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
CID 740819
5-methyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 67961738
(3aR,4R,7S,7aR)-2-prop-2-enyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 11905393

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-1-ene-3,5-dione?
The IUPAC name of 8-propan-2-yl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-1-ene-3,5-dione (CID 140540510) is 8-propan-2-yl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-1-ene-3,5-dione.
What is the SMILES notation for 8-propan-2-yl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-1-ene-3,5-dione?
The canonical SMILES for 8-propan-2-yl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-1-ene-3,5-dione is C=CCN1C(=O)C2=C3CC(C(C)C)C(C3)C2C1=O.
What is the InChIKey of 8-propan-2-yl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-1-ene-3,5-dione?
The InChIKey is ZYILXRGYZFRADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-5-16-14(17)12-9-6-10(8(2)3)11(7-9)13(12)15(16)18/h4,8,10-11,13H,1,5-7H2,2-3H3.
What are the key properties of 8-propan-2-yl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-1-ene-3,5-dione?
8-propan-2-yl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-1-ene-3,5-dione has a molecular weight of 245.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-1-ene-3,5-dione is sourced from PubChem (CID 140540510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).