2-phenyl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone

C19H18N2O — CID 11616263

IUPAC2-phenyl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
SMILESO=C(Cc1ccccc1)N1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C19H18N2O/c22-19(12-14-6-2-1-3-7-14)21-11-10-16-15-8-4-5-9-17(15)20-18(16)13-21/h1-9,20H,10-13H2
InChIKeyXSMGRNXXGNCJBN-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.30
Rot. Bonds2

About 2-phenyl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone

2-phenyl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone (PubChem CID 11616263) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-phenyl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone.

Molecular Properties

Compound Name2-phenyl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
PubChem CID11616263
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-phenyl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
SMILESO=C(Cc1ccccc1)N1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C19H18N2O/c22-19(12-14-6-2-1-3-7-14)21-11-10-16-15-8-4-5-9-17(15)20-18(16)13-21/h1-9,20H,10-13H2
InChIKeyXSMGRNXXGNCJBN-UHFFFAOYSA-N
XLogP3.30
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone?
The IUPAC name of 2-phenyl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone (CID 11616263) is 2-phenyl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone.
What is the SMILES notation for 2-phenyl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone?
The canonical SMILES for 2-phenyl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone is O=C(Cc1ccccc1)N1CCc2c([nH]c3ccccc23)C1.
What is the InChIKey of 2-phenyl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone?
The InChIKey is XSMGRNXXGNCJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c22-19(12-14-6-2-1-3-7-14)21-11-10-16-15-8-4-5-9-17(15)20-18(16)13-21/h1-9,20H,10-13H2.
What are the key properties of 2-phenyl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone?
2-phenyl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone has a molecular weight of 290.37 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone is sourced from PubChem (CID 11616263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).