trimethyl-[4-methylidene-6-(9-methylidene-4-oxo-3H-cyclopenta[b]naphthalen-2-yl)-6-oxohexyl]azanium

C24H28NO2+ — CID 129022553

IUPACtrimethyl-[4-methylidene-6-(9-methylidene-4-oxo-3H-cyclopenta[b]naphthalen-2-yl)-6-oxohexyl]azanium
SMILESC=C(CCC[N+](C)(C)C)CC(=O)C1=CC2=C(C1)C(=O)c1ccccc1C2=C
InChIInChI=1S/C24H28NO2/c1-16(9-8-12-25(3,4)5)13-23(26)18-14-21-17(2)19-10-6-7-11-20(19)24(27)22(21)15-18/h6-7,10-11,14H,1-2,8-9,12-13,15H2,3-5H3/q+1
InChIKeyHEQONTLLUNNVAY-UHFFFAOYSA-N
MW362.49 g/mol
LogP4.52
Rot. Bonds7

About trimethyl-[4-methylidene-6-(9-methylidene-4-oxo-3H-cyclopenta[b]naphthalen-2-yl)-6-oxohexyl]azanium

trimethyl-[4-methylidene-6-(9-methylidene-4-oxo-3H-cyclopenta[b]naphthalen-2-yl)-6-oxohexyl]azanium (PubChem CID 129022553) has the molecular formula C24H28NO2+ and a molecular weight of 362.49 g/mol. Its IUPAC name is trimethyl-[4-methylidene-6-(9-methylidene-4-oxo-3H-cyclopenta[b]naphthalen-2-yl)-6-oxohexyl]azanium.

Molecular Properties

Compound Nametrimethyl-[4-methylidene-6-(9-methylidene-4-oxo-3H-cyclopenta[b]naphthalen-2-yl)-6-oxohexyl]azanium
PubChem CID129022553
Molecular FormulaC24H28NO2+
Molecular Weight362.49 g/mol
Exact Mass362.21
IUPAC Nametrimethyl-[4-methylidene-6-(9-methylidene-4-oxo-3H-cyclopenta[b]naphthalen-2-yl)-6-oxohexyl]azanium
SMILESC=C(CCC[N+](C)(C)C)CC(=O)C1=CC2=C(C1)C(=O)c1ccccc1C2=C
InChIInChI=1S/C24H28NO2/c1-16(9-8-12-25(3,4)5)13-23(26)18-14-21-17(2)19-10-6-7-11-20(19)24(27)22(21)15-18/h6-7,10-11,14H,1-2,8-9,12-13,15H2,3-5H3/q+1
InChIKeyHEQONTLLUNNVAY-UHFFFAOYSA-N
XLogP4.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

bis(9,10-dioxoanthracene-2-sulfonate);trimethyl-[6-(trimethylazaniumyl)hexyl]azanium
CID 21408147
3-(1,3-dioxoisoindol-2-yl)propyl-trimethylazanium
CID 19927294
N-(9-methylidene-10-oxoanthracen-1-yl)acetamide
CID 138614732
8-methylidene-6,7,9,10-tetrahydrocyclohepta[b]naphthalene-5,11-dione
CID 178049561
N,2-dimethyl-N-[(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)methyl-oxosilyl]propan-2-amine
CID 87063608
3-[[9,10-dioxo-5-[3-(trimethylazaniumyl)propylamino]anthracen-1-yl]amino]propyl-trimethylazanium
CID 169006737
N,2-dimethyl-N-[(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)methyl-oxosilyl]propan-2-amine;titanium
CID 87357348
3-(2-methylpropanoyl)naphthalene-1,2-dione
CID 86223876
CID 66807709
CID 66807709
tert-butyl N-[2-[(10-methylidene-9-oxoanthracene-2-carbonyl)amino]ethyl]carbamate
CID 91508010
3-[[9,10-dioxo-8-[3-(trimethylazaniumyl)propylamino]anthracen-1-yl]amino]propyl-trimethylazanium
CID 169006734
3-hydroxy-2-(3-methylbut-2-enyl)-4-methylidenenaphthalen-1-one
CID 138466079

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-methylidene-6-(9-methylidene-4-oxo-3H-cyclopenta[b]naphthalen-2-yl)-6-oxohexyl]azanium?
The IUPAC name of trimethyl-[4-methylidene-6-(9-methylidene-4-oxo-3H-cyclopenta[b]naphthalen-2-yl)-6-oxohexyl]azanium (CID 129022553) is trimethyl-[4-methylidene-6-(9-methylidene-4-oxo-3H-cyclopenta[b]naphthalen-2-yl)-6-oxohexyl]azanium.
What is the SMILES notation for trimethyl-[4-methylidene-6-(9-methylidene-4-oxo-3H-cyclopenta[b]naphthalen-2-yl)-6-oxohexyl]azanium?
The canonical SMILES for trimethyl-[4-methylidene-6-(9-methylidene-4-oxo-3H-cyclopenta[b]naphthalen-2-yl)-6-oxohexyl]azanium is C=C(CCC[N+](C)(C)C)CC(=O)C1=CC2=C(C1)C(=O)c1ccccc1C2=C.
What is the InChIKey of trimethyl-[4-methylidene-6-(9-methylidene-4-oxo-3H-cyclopenta[b]naphthalen-2-yl)-6-oxohexyl]azanium?
The InChIKey is HEQONTLLUNNVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28NO2/c1-16(9-8-12-25(3,4)5)13-23(26)18-14-21-17(2)19-10-6-7-11-20(19)24(27)22(21)15-18/h6-7,10-11,14H,1-2,8-9,12-13,15H2,3-5H3/q+1.
What are the key properties of trimethyl-[4-methylidene-6-(9-methylidene-4-oxo-3H-cyclopenta[b]naphthalen-2-yl)-6-oxohexyl]azanium?
trimethyl-[4-methylidene-6-(9-methylidene-4-oxo-3H-cyclopenta[b]naphthalen-2-yl)-6-oxohexyl]azanium has a molecular weight of 362.49 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-methylidene-6-(9-methylidene-4-oxo-3H-cyclopenta[b]naphthalen-2-yl)-6-oxohexyl]azanium is sourced from PubChem (CID 129022553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).