(2Z)-2-[(4-methylphenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one

C20H17NO — CID 11958788

IUPAC(2Z)-2-[(4-methylphenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one
SMILESCc1ccc(/C=C2/CCc3c([nH]c4ccccc34)C2=O)cc1
InChIInChI=1S/C20H17NO/c1-13-6-8-14(9-7-13)12-15-10-11-17-16-4-2-3-5-18(16)21-19(17)20(15)22/h2-9,12,21H,10-11H2,1H3/b15-12-
InChIKeyODHWVRVAHORMNP-QINSGFPZSA-N
MW287.36 g/mol
LogP4.69
Rot. Bonds1

About (2Z)-2-[(4-methylphenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one

(2Z)-2-[(4-methylphenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one (PubChem CID 11958788) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is (2Z)-2-[(4-methylphenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one.

Molecular Properties

Compound Name(2Z)-2-[(4-methylphenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one
PubChem CID11958788
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name(2Z)-2-[(4-methylphenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one
SMILESCc1ccc(/C=C2/CCc3c([nH]c4ccccc34)C2=O)cc1
InChIInChI=1S/C20H17NO/c1-13-6-8-14(9-7-13)12-15-10-11-17-16-4-2-3-5-18(16)21-19(17)20(15)22/h2-9,12,21H,10-11H2,1H3/b15-12-
InChIKeyODHWVRVAHORMNP-QINSGFPZSA-N
XLogP4.69
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-methylphenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one?
The IUPAC name of (2Z)-2-[(4-methylphenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one (CID 11958788) is (2Z)-2-[(4-methylphenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one.
What is the SMILES notation for (2Z)-2-[(4-methylphenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one?
The canonical SMILES for (2Z)-2-[(4-methylphenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one is Cc1ccc(/C=C2/CCc3c([nH]c4ccccc34)C2=O)cc1.
What is the InChIKey of (2Z)-2-[(4-methylphenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one?
The InChIKey is ODHWVRVAHORMNP-QINSGFPZSA-N. The full InChI is InChI=1S/C20H17NO/c1-13-6-8-14(9-7-13)12-15-10-11-17-16-4-2-3-5-18(16)21-19(17)20(15)22/h2-9,12,21H,10-11H2,1H3/b15-12-.
What are the key properties of (2Z)-2-[(4-methylphenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one?
(2Z)-2-[(4-methylphenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one has a molecular weight of 287.36 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-methylphenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one is sourced from PubChem (CID 11958788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).