(2Z)-2-benzylidene-4,9-dihydro-3H-carbazol-1-one

C19H15NO — CID 11958790

IUPAC(2Z)-2-benzylidene-4,9-dihydro-3H-carbazol-1-one
SMILESO=C1/C(=C\c2ccccc2)CCc2c1[nH]c1ccccc21
InChIInChI=1S/C19H15NO/c21-19-14(12-13-6-2-1-3-7-13)10-11-16-15-8-4-5-9-17(15)20-18(16)19/h1-9,12,20H,10-11H2/b14-12-
InChIKeyJCUHEMJWSFFFOR-OWBHPGMISA-N
MW273.34 g/mol
LogP4.38
Rot. Bonds1

About (2Z)-2-benzylidene-4,9-dihydro-3H-carbazol-1-one

(2Z)-2-benzylidene-4,9-dihydro-3H-carbazol-1-one (PubChem CID 11958790) has the molecular formula C19H15NO and a molecular weight of 273.34 g/mol. Its IUPAC name is (2Z)-2-benzylidene-4,9-dihydro-3H-carbazol-1-one.

Molecular Properties

Compound Name(2Z)-2-benzylidene-4,9-dihydro-3H-carbazol-1-one
PubChem CID11958790
Molecular FormulaC19H15NO
Molecular Weight273.34 g/mol
Exact Mass273.12
IUPAC Name(2Z)-2-benzylidene-4,9-dihydro-3H-carbazol-1-one
SMILESO=C1/C(=C\c2ccccc2)CCc2c1[nH]c1ccccc21
InChIInChI=1S/C19H15NO/c21-19-14(12-13-6-2-1-3-7-13)10-11-16-15-8-4-5-9-17(15)20-18(16)19/h1-9,12,20H,10-11H2/b14-12-
InChIKeyJCUHEMJWSFFFOR-OWBHPGMISA-N
XLogP4.38
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.38
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-benzylidene-4,9-dihydro-3H-carbazol-1-one?
The IUPAC name of (2Z)-2-benzylidene-4,9-dihydro-3H-carbazol-1-one (CID 11958790) is (2Z)-2-benzylidene-4,9-dihydro-3H-carbazol-1-one.
What is the SMILES notation for (2Z)-2-benzylidene-4,9-dihydro-3H-carbazol-1-one?
The canonical SMILES for (2Z)-2-benzylidene-4,9-dihydro-3H-carbazol-1-one is O=C1/C(=C\c2ccccc2)CCc2c1[nH]c1ccccc21.
What is the InChIKey of (2Z)-2-benzylidene-4,9-dihydro-3H-carbazol-1-one?
The InChIKey is JCUHEMJWSFFFOR-OWBHPGMISA-N. The full InChI is InChI=1S/C19H15NO/c21-19-14(12-13-6-2-1-3-7-13)10-11-16-15-8-4-5-9-17(15)20-18(16)19/h1-9,12,20H,10-11H2/b14-12-.
What are the key properties of (2Z)-2-benzylidene-4,9-dihydro-3H-carbazol-1-one?
(2Z)-2-benzylidene-4,9-dihydro-3H-carbazol-1-one has a molecular weight of 273.34 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidene-4,9-dihydro-3H-carbazol-1-one is sourced from PubChem (CID 11958790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).