1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione

C18H15NO2 — CID 153181750

IUPAC1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione
SMILESCn1cc(C(=O)C(=O)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C18H15NO2/c1-19-12-15(14-9-5-6-10-16(14)19)18(21)17(20)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3
InChIKeyWGHOCKXNOVYOBV-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.17
Rot. Bonds4

About 1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione

1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione (PubChem CID 153181750) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione.

Molecular Properties

Compound Name1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione
PubChem CID153181750
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione
SMILESCn1cc(C(=O)C(=O)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C18H15NO2/c1-19-12-15(14-9-5-6-10-16(14)19)18(21)17(20)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3
InChIKeyWGHOCKXNOVYOBV-UHFFFAOYSA-N
XLogP3.17
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 4918878
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
[(E)-1-(1-methylindol-3-yl)ethylideneamino] 2-phenylacetate
CID 126609690
N-benzyl-2-(1-methylindol-3-yl)-2-oxo-N-propan-2-ylacetamide
CID 113207712
N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide
CID 113205582
2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid
CID 63650839
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
1-methylindole-3-carbothioic S-acid
CID 116918837
1-(1-methylindol-3-yl)-2-pyridin-3-ylethanone
CID 86729069
2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide
CID 113207654
2-(3-fluorophenyl)-1-(1-methylindol-3-yl)ethanone
CID 43340234

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione?
The IUPAC name of 1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione (CID 153181750) is 1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione.
What is the SMILES notation for 1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione?
The canonical SMILES for 1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione is Cn1cc(C(=O)C(=O)Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione?
The InChIKey is WGHOCKXNOVYOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-19-12-15(14-9-5-6-10-16(14)19)18(21)17(20)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3.
What are the key properties of 1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione?
1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione has a molecular weight of 277.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione is sourced from PubChem (CID 153181750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).