10-[(E)-2,4,4-trimethylpent-2-enoyl]acridin-9-one

C21H21NO2 — CID 101048772

IUPAC10-[(E)-2,4,4-trimethylpent-2-enoyl]acridin-9-one
SMILESC/C(=C\C(C)(C)C)C(=O)n1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C21H21NO2/c1-14(13-21(2,3)4)20(24)22-17-11-7-5-9-15(17)19(23)16-10-6-8-12-18(16)22/h5-13H,1-4H3/b14-13+
InChIKeyBRRPARXLNRYCJT-BUHFOSPRSA-N
MW319.40 g/mol
LogP4.79
Rot. Bonds1

About 10-[(E)-2,4,4-trimethylpent-2-enoyl]acridin-9-one

10-[(E)-2,4,4-trimethylpent-2-enoyl]acridin-9-one (PubChem CID 101048772) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 10-[(E)-2,4,4-trimethylpent-2-enoyl]acridin-9-one.

Molecular Properties

Compound Name10-[(E)-2,4,4-trimethylpent-2-enoyl]acridin-9-one
PubChem CID101048772
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name10-[(E)-2,4,4-trimethylpent-2-enoyl]acridin-9-one
SMILESC/C(=C\C(C)(C)C)C(=O)n1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C21H21NO2/c1-14(13-21(2,3)4)20(24)22-17-11-7-5-9-15(17)19(23)16-10-6-8-12-18(16)22/h5-13H,1-4H3/b14-13+
InChIKeyBRRPARXLNRYCJT-BUHFOSPRSA-N
XLogP4.79
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10-[(E)-2-methyl-3-phenylprop-2-enoyl]acridin-9-one
CID 11046060
1-carbazol-9-ylethanone;ethane
CID 142183368
1-carbazol-9-ylethanone;diaziridin-3-one
CID 174714920
10-(3-bromo-2,2-dimethylpropyl)acridin-9-one
CID 64994942
10-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]acridin-9-one
CID 91612597
1-(3-carbazol-9-ylcarbazol-9-yl)ethanone
CID 118391781
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 6381487
tert-butyl 2,3-dichloroindole-1-carboxylate
CID 122227437
10-[4-(3-bromophenyl)piperazine-1-carbonyl]acridin-9-one
CID 162647463
carbazole-9-carbonyl fluoride
CID 45082000
2-(9-oxoacridin-10-yl)acetyl chloride
CID 15839148
5,7-diphenylquinolino[3,2-b]acridine-12,14-dione
CID 146333918

Frequently Asked Questions

What is the IUPAC name of 10-[(E)-2,4,4-trimethylpent-2-enoyl]acridin-9-one?
The IUPAC name of 10-[(E)-2,4,4-trimethylpent-2-enoyl]acridin-9-one (CID 101048772) is 10-[(E)-2,4,4-trimethylpent-2-enoyl]acridin-9-one.
What is the SMILES notation for 10-[(E)-2,4,4-trimethylpent-2-enoyl]acridin-9-one?
The canonical SMILES for 10-[(E)-2,4,4-trimethylpent-2-enoyl]acridin-9-one is C/C(=C\C(C)(C)C)C(=O)n1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of 10-[(E)-2,4,4-trimethylpent-2-enoyl]acridin-9-one?
The InChIKey is BRRPARXLNRYCJT-BUHFOSPRSA-N. The full InChI is InChI=1S/C21H21NO2/c1-14(13-21(2,3)4)20(24)22-17-11-7-5-9-15(17)19(23)16-10-6-8-12-18(16)22/h5-13H,1-4H3/b14-13+.
What are the key properties of 10-[(E)-2,4,4-trimethylpent-2-enoyl]acridin-9-one?
10-[(E)-2,4,4-trimethylpent-2-enoyl]acridin-9-one has a molecular weight of 319.40 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(E)-2,4,4-trimethylpent-2-enoyl]acridin-9-one is sourced from PubChem (CID 101048772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).