3-[(9-ethylcarbazol-3-yl)methylidene]-1H-indol-2-one

C23H18N2O — CID 69456553

IUPAC3-[(9-ethylcarbazol-3-yl)methylidene]-1H-indol-2-one
SMILESCCn1c2ccccc2c2cc(C=C3C(=O)Nc4ccccc43)ccc21
InChIInChI=1S/C23H18N2O/c1-2-25-21-10-6-4-8-17(21)18-13-15(11-12-22(18)25)14-19-16-7-3-5-9-20(16)24-23(19)26/h3-14H,2H2,1H3,(H,24,26)
InChIKeyWFUCSRSNPKFCSZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.31
Rot. Bonds2

About 3-[(9-ethylcarbazol-3-yl)methylidene]-1H-indol-2-one

3-[(9-ethylcarbazol-3-yl)methylidene]-1H-indol-2-one (PubChem CID 69456553) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[(9-ethylcarbazol-3-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[(9-ethylcarbazol-3-yl)methylidene]-1H-indol-2-one
PubChem CID69456553
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name3-[(9-ethylcarbazol-3-yl)methylidene]-1H-indol-2-one
SMILESCCn1c2ccccc2c2cc(C=C3C(=O)Nc4ccccc43)ccc21
InChIInChI=1S/C23H18N2O/c1-2-25-21-10-6-4-8-17(21)18-13-15(11-12-22(18)25)14-19-16-7-3-5-9-20(16)24-23(19)26/h3-14H,2H2,1H3,(H,24,26)
InChIKeyWFUCSRSNPKFCSZ-UHFFFAOYSA-N
XLogP5.31
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-[(9-ethylcarbazol-3-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 124677543
(3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 17465083
(3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one
CID 58923998
5-[(9-octylcarbazol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 102493953
2-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]-3-oxoinden-1-ylidene]propanedinitrile
CID 122398920
(2E)-2-[(9-ethylcarbazol-3-yl)methylidene]-1-benzofuran-3-one
CID 58621794
2-[(9-ethylcarbazol-3-yl)methylidene]-1-phenylindol-3-one
CID 76840870
3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 2803146
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 727477
(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 3486422
3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one
CID 75299455

Frequently Asked Questions

What is the IUPAC name of 3-[(9-ethylcarbazol-3-yl)methylidene]-1H-indol-2-one?
The IUPAC name of 3-[(9-ethylcarbazol-3-yl)methylidene]-1H-indol-2-one (CID 69456553) is 3-[(9-ethylcarbazol-3-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[(9-ethylcarbazol-3-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for 3-[(9-ethylcarbazol-3-yl)methylidene]-1H-indol-2-one is CCn1c2ccccc2c2cc(C=C3C(=O)Nc4ccccc43)ccc21.
What is the InChIKey of 3-[(9-ethylcarbazol-3-yl)methylidene]-1H-indol-2-one?
The InChIKey is WFUCSRSNPKFCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c1-2-25-21-10-6-4-8-17(21)18-13-15(11-12-22(18)25)14-19-16-7-3-5-9-20(16)24-23(19)26/h3-14H,2H2,1H3,(H,24,26).
What are the key properties of 3-[(9-ethylcarbazol-3-yl)methylidene]-1H-indol-2-one?
3-[(9-ethylcarbazol-3-yl)methylidene]-1H-indol-2-one has a molecular weight of 338.41 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(9-ethylcarbazol-3-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 69456553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).