10-[2-[(3aR,6aS)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acridin-9-one

C23H25N3O2 — CID 154866339

IUPAC10-[2-[(3aR,6aS)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acridin-9-one
SMILESC[C@@]12CNC[C@]1(C)CN(C(=O)Cn1c3ccccc3c(=O)c3ccccc31)C2
InChIInChI=1S/C23H25N3O2/c1-22-12-24-13-23(22,2)15-25(14-22)20(27)11-26-18-9-5-3-7-16(18)21(28)17-8-4-6-10-19(17)26/h3-10,24H,11-15H2,1-2H3/t22-,23+
InChIKeyYRJTXZKKWJKQPC-ZRZAMGCNSA-N
MW375.47 g/mol
LogP2.61
Rot. Bonds2

About 10-[2-[(3aR,6aS)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acridin-9-one

10-[2-[(3aR,6aS)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acridin-9-one (PubChem CID 154866339) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 10-[2-[(3aR,6aS)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acridin-9-one.

Molecular Properties

Compound Name10-[2-[(3aR,6aS)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acridin-9-one
PubChem CID154866339
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name10-[2-[(3aR,6aS)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acridin-9-one
SMILESC[C@@]12CNC[C@]1(C)CN(C(=O)Cn1c3ccccc3c(=O)c3ccccc31)C2
InChIInChI=1S/C23H25N3O2/c1-22-12-24-13-23(22,2)15-25(14-22)20(27)11-26-18-9-5-3-7-16(18)21(28)17-8-4-6-10-19(17)26/h3-10,24H,11-15H2,1-2H3/t22-,23+
InChIKeyYRJTXZKKWJKQPC-ZRZAMGCNSA-N
XLogP2.61
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-[2-[(3aR,6aS)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acridin-9-one with MolForge

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Related Compounds

(3S,4S)-4-methyl-1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120953481
10-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]acridin-9-one;hydrochloride
CID 120996346
10-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
CID 119544334
N,N-dimethyl-2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]acetamide
CID 46518244
10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one
CID 33179862
10-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
CID 119539969
10-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]acridin-9-one
CID 119471378
2-carbazol-9-yl-1-pyrrolidin-1-ylethanone
CID 67925935
10-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]acridin-9-one
CID 119489974
phenyl 2-(9-oxoacridin-10-yl)acetate
CID 3113744
2-(9-oxoacridin-10-yl)acetyl chloride
CID 15839148
10-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]acridin-9-one
CID 55502854

Frequently Asked Questions

What is the IUPAC name of 10-[2-[(3aR,6aS)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acridin-9-one?
The IUPAC name of 10-[2-[(3aR,6aS)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acridin-9-one (CID 154866339) is 10-[2-[(3aR,6aS)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acridin-9-one.
What is the SMILES notation for 10-[2-[(3aR,6aS)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acridin-9-one?
The canonical SMILES for 10-[2-[(3aR,6aS)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acridin-9-one is C[C@@]12CNC[C@]1(C)CN(C(=O)Cn1c3ccccc3c(=O)c3ccccc31)C2.
What is the InChIKey of 10-[2-[(3aR,6aS)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acridin-9-one?
The InChIKey is YRJTXZKKWJKQPC-ZRZAMGCNSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-22-12-24-13-23(22,2)15-25(14-22)20(27)11-26-18-9-5-3-7-16(18)21(28)17-8-4-6-10-19(17)26/h3-10,24H,11-15H2,1-2H3/t22-,23+.
What are the key properties of 10-[2-[(3aR,6aS)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acridin-9-one?
10-[2-[(3aR,6aS)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acridin-9-one has a molecular weight of 375.47 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[(3aR,6aS)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acridin-9-one is sourced from PubChem (CID 154866339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).