2-methylidene-6-(2-methylpropoxy)-4,9-dihydro-3H-carbazol-1-one

C17H19NO2 — CID 874744

IUPAC2-methylidene-6-(2-methylpropoxy)-4,9-dihydro-3H-carbazol-1-one
SMILESC=C1CCc2c([nH]c3ccc(OCC(C)C)cc23)C1=O
InChIInChI=1S/C17H19NO2/c1-10(2)9-20-12-5-7-15-14(8-12)13-6-4-11(3)17(19)16(13)18-15/h5,7-8,10,18H,3-4,6,9H2,1-2H3
InChIKeyZWJPRXUXVGPEJZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.89
Rot. Bonds3

About 2-methylidene-6-(2-methylpropoxy)-4,9-dihydro-3H-carbazol-1-one

2-methylidene-6-(2-methylpropoxy)-4,9-dihydro-3H-carbazol-1-one (PubChem CID 874744) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-methylidene-6-(2-methylpropoxy)-4,9-dihydro-3H-carbazol-1-one.

Molecular Properties

Compound Name2-methylidene-6-(2-methylpropoxy)-4,9-dihydro-3H-carbazol-1-one
PubChem CID874744
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-methylidene-6-(2-methylpropoxy)-4,9-dihydro-3H-carbazol-1-one
SMILESC=C1CCc2c([nH]c3ccc(OCC(C)C)cc23)C1=O
InChIInChI=1S/C17H19NO2/c1-10(2)9-20-12-5-7-15-14(8-12)13-6-4-11(3)17(19)16(13)18-15/h5,7-8,10,18H,3-4,6,9H2,1-2H3
InChIKeyZWJPRXUXVGPEJZ-UHFFFAOYSA-N
XLogP3.89
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-methylidene-6-(2-methylpropoxy)-4,9-dihydro-3H-carbazol-1-one?
The IUPAC name of 2-methylidene-6-(2-methylpropoxy)-4,9-dihydro-3H-carbazol-1-one (CID 874744) is 2-methylidene-6-(2-methylpropoxy)-4,9-dihydro-3H-carbazol-1-one.
What is the SMILES notation for 2-methylidene-6-(2-methylpropoxy)-4,9-dihydro-3H-carbazol-1-one?
The canonical SMILES for 2-methylidene-6-(2-methylpropoxy)-4,9-dihydro-3H-carbazol-1-one is C=C1CCc2c([nH]c3ccc(OCC(C)C)cc23)C1=O.
What is the InChIKey of 2-methylidene-6-(2-methylpropoxy)-4,9-dihydro-3H-carbazol-1-one?
The InChIKey is ZWJPRXUXVGPEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-10(2)9-20-12-5-7-15-14(8-12)13-6-4-11(3)17(19)16(13)18-15/h5,7-8,10,18H,3-4,6,9H2,1-2H3.
What are the key properties of 2-methylidene-6-(2-methylpropoxy)-4,9-dihydro-3H-carbazol-1-one?
2-methylidene-6-(2-methylpropoxy)-4,9-dihydro-3H-carbazol-1-one has a molecular weight of 269.34 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-6-(2-methylpropoxy)-4,9-dihydro-3H-carbazol-1-one is sourced from PubChem (CID 874744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).