11-methyl-8-azatricyclo[6.4.3.04,13]pentadec-4(13)-ene-3,9-dione

C15H21NO2 — CID 162983727

IUPAC11-methyl-8-azatricyclo[6.4.3.04,13]pentadec-4(13)-ene-3,9-dione
SMILESCC1CC(=O)N2CCCC3=C(CC2)C(CC3=O)C1
InChIInChI=1S/C15H21NO2/c1-10-7-11-9-14(17)13-3-2-5-16(15(18)8-10)6-4-12(11)13/h10-11H,2-9H2,1H3
InChIKeyWFIQJTRPTAQLJG-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.31
Rot. Bonds

About 11-methyl-8-azatricyclo[6.4.3.04,13]pentadec-4(13)-ene-3,9-dione

11-methyl-8-azatricyclo[6.4.3.04,13]pentadec-4(13)-ene-3,9-dione (PubChem CID 162983727) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 11-methyl-8-azatricyclo[6.4.3.04,13]pentadec-4(13)-ene-3,9-dione.

Molecular Properties

Compound Name11-methyl-8-azatricyclo[6.4.3.04,13]pentadec-4(13)-ene-3,9-dione
PubChem CID162983727
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name11-methyl-8-azatricyclo[6.4.3.04,13]pentadec-4(13)-ene-3,9-dione
SMILESCC1CC(=O)N2CCCC3=C(CC2)C(CC3=O)C1
InChIInChI=1S/C15H21NO2/c1-10-7-11-9-14(17)13-3-2-5-16(15(18)8-10)6-4-12(11)13/h10-11H,2-9H2,1H3
InChIKeyWFIQJTRPTAQLJG-UHFFFAOYSA-N
XLogP2.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phlegmariurine B
CID 179734
Phlegmariurine A
CID 179733
(4S,6R)-6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8-dione
CID 21125414
(4R,6R)-6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8-dione
CID 101372154
(1R,6R)-6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-4(13)-ene-2,8-dione
CID 162822933
(4S,6S)-6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8-dione
CID 162957427
(1S)-6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-4(13)-ene-2,8-dione
CID 135019565
2-Hexyl-5-methyl-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 139238509
6-Methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8,10-trione
CID 164674397
(5S)-5-tert-butyl-2-propyl-4,5,6,7-tetrahydro-3H-isoindol-1-one
CID 639909
5-tert-butyl-2-propyl-4,5,6,7-tetrahydro-3H-isoindol-1-one
CID 22298232
6-Methyl-5-(6-methyl-2,8-dioxo-9-azatricyclo[7.4.3.04,13]hexadec-4(13)-en-5-yl)-9-azatricyclo[7.4.3.04,13]hexadec-4(13)-ene-2,8-dione
CID 5320531

Frequently Asked Questions

What is the IUPAC name of 11-methyl-8-azatricyclo[6.4.3.04,13]pentadec-4(13)-ene-3,9-dione?
The IUPAC name of 11-methyl-8-azatricyclo[6.4.3.04,13]pentadec-4(13)-ene-3,9-dione (CID 162983727) is 11-methyl-8-azatricyclo[6.4.3.04,13]pentadec-4(13)-ene-3,9-dione.
What is the SMILES notation for 11-methyl-8-azatricyclo[6.4.3.04,13]pentadec-4(13)-ene-3,9-dione?
The canonical SMILES for 11-methyl-8-azatricyclo[6.4.3.04,13]pentadec-4(13)-ene-3,9-dione is CC1CC(=O)N2CCCC3=C(CC2)C(CC3=O)C1.
What is the InChIKey of 11-methyl-8-azatricyclo[6.4.3.04,13]pentadec-4(13)-ene-3,9-dione?
The InChIKey is WFIQJTRPTAQLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-7-11-9-14(17)13-3-2-5-16(15(18)8-10)6-4-12(11)13/h10-11H,2-9H2,1H3.
What are the key properties of 11-methyl-8-azatricyclo[6.4.3.04,13]pentadec-4(13)-ene-3,9-dione?
11-methyl-8-azatricyclo[6.4.3.04,13]pentadec-4(13)-ene-3,9-dione has a molecular weight of 247.34 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-8-azatricyclo[6.4.3.04,13]pentadec-4(13)-ene-3,9-dione is sourced from PubChem (CID 162983727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).