3-(1-methylindol-2-yl)-1-phenylprop-2-en-1-one

C18H15NO — CID 118108345

IUPAC3-(1-methylindol-2-yl)-1-phenylprop-2-en-1-one
SMILESCn1c(C=CC(=O)c2ccccc2)cc2ccccc21
InChIInChI=1S/C18H15NO/c1-19-16(13-15-9-5-6-10-17(15)19)11-12-18(20)14-7-3-2-4-8-14/h2-13H,1H3
InChIKeyPCWARSASGRIPAW-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.07
Rot. Bonds3

About 3-(1-methylindol-2-yl)-1-phenylprop-2-en-1-one

3-(1-methylindol-2-yl)-1-phenylprop-2-en-1-one (PubChem CID 118108345) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(1-methylindol-2-yl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name3-(1-methylindol-2-yl)-1-phenylprop-2-en-1-one
PubChem CID118108345
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name3-(1-methylindol-2-yl)-1-phenylprop-2-en-1-one
SMILESCn1c(C=CC(=O)c2ccccc2)cc2ccccc21
InChIInChI=1S/C18H15NO/c1-19-16(13-15-9-5-6-10-17(15)19)11-12-18(20)14-7-3-2-4-8-14/h2-13H,1H3
InChIKeyPCWARSASGRIPAW-UHFFFAOYSA-N
XLogP4.07
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(1-benzothiophen-2-yl)-3-(1-methylindol-2-yl)prop-2-en-1-one
CID 21040462
2-[(1-methylindol-2-yl)methylidene]propanedioic acid
CID 170895345
4-fluoro-2-[(E)-2-(1-methylindol-2-yl)ethenyl]phenol
CID 19689621
(E)-3-(1-methylindol-2-yl)prop-2-enal
CID 146445442
3-[9-methyl-7-(3-oxo-3-phenylprop-1-enyl)carbazol-2-yl]-1-phenylprop-2-en-1-one
CID 71397195
4-[(E)-3-[2,4-dimethoxy-5-(1-methylindol-2-yl)phenyl]prop-2-enoyl]benzoic acid
CID 10173610
2-[(1Z)-buta-1,3-dienyl]-1-methylindole
CID 142244714
3-(1-methyl-2-phenylindol-3-yl)-1-phenylprop-2-en-1-one
CID 67199866
λ2-plumbane;4-oxo-4-phenylbut-2-enoic acid
CID 173413891
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
3-bromo-2-[2-(1-methylindol-2-yl)ethenyl]phenol
CID 86191765
(E)-3-(dimethylamino)-1-(1-methylindol-2-yl)prop-2-en-1-one
CID 71668672

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-2-yl)-1-phenylprop-2-en-1-one?
The IUPAC name of 3-(1-methylindol-2-yl)-1-phenylprop-2-en-1-one (CID 118108345) is 3-(1-methylindol-2-yl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for 3-(1-methylindol-2-yl)-1-phenylprop-2-en-1-one?
The canonical SMILES for 3-(1-methylindol-2-yl)-1-phenylprop-2-en-1-one is Cn1c(C=CC(=O)c2ccccc2)cc2ccccc21.
What is the InChIKey of 3-(1-methylindol-2-yl)-1-phenylprop-2-en-1-one?
The InChIKey is PCWARSASGRIPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-19-16(13-15-9-5-6-10-17(15)19)11-12-18(20)14-7-3-2-4-8-14/h2-13H,1H3.
What are the key properties of 3-(1-methylindol-2-yl)-1-phenylprop-2-en-1-one?
3-(1-methylindol-2-yl)-1-phenylprop-2-en-1-one has a molecular weight of 261.32 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-2-yl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 118108345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).