11-prop-2-enyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione

C17H15NO3 — CID 3111639

IUPAC11-prop-2-enyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione
SMILESC=CCN1C(=O)C2C3CC(=O)C(c4ccccc43)C2C1=O
InChIInChI=1S/C17H15NO3/c1-2-7-18-16(20)14-11-8-12(19)13(15(14)17(18)21)10-6-4-3-5-9(10)11/h2-6,11,13-15H,1,7-8H2
InChIKeyJWJDDPODSRGNFT-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.63
Rot. Bonds2

About 11-prop-2-enyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione

11-prop-2-enyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione (PubChem CID 3111639) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 11-prop-2-enyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione.

Molecular Properties

Compound Name11-prop-2-enyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione
PubChem CID3111639
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name11-prop-2-enyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione
SMILESC=CCN1C(=O)C2C3CC(=O)C(c4ccccc43)C2C1=O
InChIInChI=1S/C17H15NO3/c1-2-7-18-16(20)14-11-8-12(19)13(15(14)17(18)21)10-6-4-3-5-9(10)11/h2-6,11,13-15H,1,7-8H2
InChIKeyJWJDDPODSRGNFT-UHFFFAOYSA-N
XLogP1.63
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.63
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 11-prop-2-enyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione?
The IUPAC name of 11-prop-2-enyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione (CID 3111639) is 11-prop-2-enyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione.
What is the SMILES notation for 11-prop-2-enyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione?
The canonical SMILES for 11-prop-2-enyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione is C=CCN1C(=O)C2C3CC(=O)C(c4ccccc43)C2C1=O.
What is the InChIKey of 11-prop-2-enyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione?
The InChIKey is JWJDDPODSRGNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-2-7-18-16(20)14-11-8-12(19)13(15(14)17(18)21)10-6-4-3-5-9(10)11/h2-6,11,13-15H,1,7-8H2.
What are the key properties of 11-prop-2-enyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione?
11-prop-2-enyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione has a molecular weight of 281.31 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-prop-2-enyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione is sourced from PubChem (CID 3111639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).