(2E)-2-[(3,4-diethoxyphenyl)methylidene]-8-methyl-4,9-dihydro-3H-carbazol-1-one

C24H25NO3 — CID 155535757

IUPAC(2E)-2-[(3,4-diethoxyphenyl)methylidene]-8-methyl-4,9-dihydro-3H-carbazol-1-one
SMILESCCOc1ccc(/C=C2\CCc3c([nH]c4c(C)cccc34)C2=O)cc1OCC
InChIInChI=1S/C24H25NO3/c1-4-27-20-12-9-16(14-21(20)28-5-2)13-17-10-11-19-18-8-6-7-15(3)22(18)25-23(19)24(17)26/h6-9,12-14,25H,4-5,10-11H2,1-3H3/b17-13+
InChIKeyZVHMNQFHZXSWEG-GHRIWEEISA-N
MW375.47 g/mol
LogP5.49
Rot. Bonds5

About (2E)-2-[(3,4-diethoxyphenyl)methylidene]-8-methyl-4,9-dihydro-3H-carbazol-1-one

(2E)-2-[(3,4-diethoxyphenyl)methylidene]-8-methyl-4,9-dihydro-3H-carbazol-1-one (PubChem CID 155535757) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2E)-2-[(3,4-diethoxyphenyl)methylidene]-8-methyl-4,9-dihydro-3H-carbazol-1-one.

Molecular Properties

Compound Name(2E)-2-[(3,4-diethoxyphenyl)methylidene]-8-methyl-4,9-dihydro-3H-carbazol-1-one
PubChem CID155535757
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name(2E)-2-[(3,4-diethoxyphenyl)methylidene]-8-methyl-4,9-dihydro-3H-carbazol-1-one
SMILESCCOc1ccc(/C=C2\CCc3c([nH]c4c(C)cccc34)C2=O)cc1OCC
InChIInChI=1S/C24H25NO3/c1-4-27-20-12-9-16(14-21(20)28-5-2)13-17-10-11-19-18-8-6-7-15(3)22(18)25-23(19)24(17)26/h6-9,12-14,25H,4-5,10-11H2,1-3H3/b17-13+
InChIKeyZVHMNQFHZXSWEG-GHRIWEEISA-N
XLogP5.49
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(4-ethoxyphenyl)methylidene]-6-methyl-4,9-dihydro-3H-carbazol-1-one
CID 170179954
2-[(3,4-diethoxyphenyl)methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one
CID 75946858
5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(2-methylphenyl)imidazol-4-one
CID 91989029
2-[2-ethoxy-4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N,N-dimethylacetamide
CID 2697143
(2E)-2-[(3-ethoxy-4-methoxyphenyl)methylidene]-4-hydroxy-3H-inden-1-one
CID 24583137
2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-8-methyl-3H-quinazolin-4-one
CID 135725671
(5Z)-5-[[4-[3-(2,3-dimethylphenoxy)propoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2230499
(5E)-5-[(3,4-diethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 71296821
5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135486855
2-[(Z)-1-chloro-2-(3-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]-8-methyl-3H-quinazolin-4-one
CID 135725686
(2Z,5E)-2,5-bis[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylidene]cyclopentan-1-one
CID 19577762
4-[(4-butoxy-3-ethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 4275089

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3,4-diethoxyphenyl)methylidene]-8-methyl-4,9-dihydro-3H-carbazol-1-one?
The IUPAC name of (2E)-2-[(3,4-diethoxyphenyl)methylidene]-8-methyl-4,9-dihydro-3H-carbazol-1-one (CID 155535757) is (2E)-2-[(3,4-diethoxyphenyl)methylidene]-8-methyl-4,9-dihydro-3H-carbazol-1-one.
What is the SMILES notation for (2E)-2-[(3,4-diethoxyphenyl)methylidene]-8-methyl-4,9-dihydro-3H-carbazol-1-one?
The canonical SMILES for (2E)-2-[(3,4-diethoxyphenyl)methylidene]-8-methyl-4,9-dihydro-3H-carbazol-1-one is CCOc1ccc(/C=C2\CCc3c([nH]c4c(C)cccc34)C2=O)cc1OCC.
What is the InChIKey of (2E)-2-[(3,4-diethoxyphenyl)methylidene]-8-methyl-4,9-dihydro-3H-carbazol-1-one?
The InChIKey is ZVHMNQFHZXSWEG-GHRIWEEISA-N. The full InChI is InChI=1S/C24H25NO3/c1-4-27-20-12-9-16(14-21(20)28-5-2)13-17-10-11-19-18-8-6-7-15(3)22(18)25-23(19)24(17)26/h6-9,12-14,25H,4-5,10-11H2,1-3H3/b17-13+.
What are the key properties of (2E)-2-[(3,4-diethoxyphenyl)methylidene]-8-methyl-4,9-dihydro-3H-carbazol-1-one?
(2E)-2-[(3,4-diethoxyphenyl)methylidene]-8-methyl-4,9-dihydro-3H-carbazol-1-one has a molecular weight of 375.47 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3,4-diethoxyphenyl)methylidene]-8-methyl-4,9-dihydro-3H-carbazol-1-one is sourced from PubChem (CID 155535757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).