6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8,10-trione

C16H21NO3 — CID 164674397

IUPAC6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8,10-trione
SMILESCC1CC(=O)N2CCCC3=C(CCC2=O)C(CC3=O)C1
InChIInChI=1S/C16H21NO3/c1-10-7-11-9-14(18)13-3-2-6-17(16(20)8-10)15(19)5-4-12(11)13/h10-11H,2-9H2,1H3
InChIKeyZWESIOAFAKDCFA-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.23
Rot. Bonds

About 6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8,10-trione

6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8,10-trione (PubChem CID 164674397) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8,10-trione.

Molecular Properties

Compound Name6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8,10-trione
PubChem CID164674397
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8,10-trione
SMILESCC1CC(=O)N2CCCC3=C(CCC2=O)C(CC3=O)C1
InChIInChI=1S/C16H21NO3/c1-10-7-11-9-14(18)13-3-2-6-17(16(20)8-10)15(19)5-4-12(11)13/h10-11H,2-9H2,1H3
InChIKeyZWESIOAFAKDCFA-UHFFFAOYSA-N
XLogP2.23
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8,10-trione?
The IUPAC name of 6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8,10-trione (CID 164674397) is 6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8,10-trione.
What is the SMILES notation for 6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8,10-trione?
The canonical SMILES for 6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8,10-trione is CC1CC(=O)N2CCCC3=C(CCC2=O)C(CC3=O)C1.
What is the InChIKey of 6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8,10-trione?
The InChIKey is ZWESIOAFAKDCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-10-7-11-9-14(18)13-3-2-6-17(16(20)8-10)15(19)5-4-12(11)13/h10-11H,2-9H2,1H3.
What are the key properties of 6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8,10-trione?
6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8,10-trione has a molecular weight of 275.35 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8,10-trione is sourced from PubChem (CID 164674397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).