(E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one

C21H15NO — CID 6249312

IUPAC(E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1c[nH]c2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C21H15NO/c23-21(19-10-5-7-15-6-1-2-8-17(15)19)13-12-16-14-22-20-11-4-3-9-18(16)20/h1-14,22H/b13-12+
InChIKeyWFJBXBKHSXDGIH-OUKQBFOZSA-N
MW297.36 g/mol
LogP5.22
Rot. Bonds3

About (E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one

(E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one (PubChem CID 6249312) has the molecular formula C21H15NO and a molecular weight of 297.36 g/mol. Its IUPAC name is (E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one
PubChem CID6249312
Molecular FormulaC21H15NO
Molecular Weight297.36 g/mol
Exact Mass297.12
IUPAC Name(E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1c[nH]c2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C21H15NO/c23-21(19-10-5-7-15-6-1-2-8-17(15)19)13-12-16-14-22-20-11-4-3-9-18(16)20/h1-14,22H/b13-12+
InChIKeyWFJBXBKHSXDGIH-OUKQBFOZSA-N
XLogP5.22
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.36
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(1H-indol-3-yl)prop-2-en-1-one
CID 4206840
(E)-1-anthracen-9-yl-3-(1H-indol-3-yl)prop-2-en-1-one
CID 122220626
(E)-1-(5-acetyl-2,4-dihydroxyphenyl)-3-(1H-indol-3-yl)prop-2-en-1-one
CID 15080381
1-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-en-1-one
CID 85232827
3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3122026
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide
CID 54348960
2-(1H-indol-3-yl)ethenyl 3-(1H-indol-3-yl)prop-2-enoate
CID 163135142
(E)-3-(1H-indol-3-yl)-1-(3-phenylmethoxyphenyl)prop-2-en-1-one
CID 171349643
3-(1H-indol-3-yl)prop-2-enamide;propanoic acid
CID 174449864
(E)-3-(1H-indol-3-yl)prop-2-enethioamide
CID 119088775
(E)-4,4,4-trifluoro-1-naphthalen-1-ylbut-2-en-1-one
CID 101484406
N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide
CID 73338847

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one (CID 6249312) is (E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one is O=C(/C=C/c1c[nH]c2ccccc12)c1cccc2ccccc12.
What is the InChIKey of (E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one?
The InChIKey is WFJBXBKHSXDGIH-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H15NO/c23-21(19-10-5-7-15-6-1-2-8-17(15)19)13-12-16-14-22-20-11-4-3-9-18(16)20/h1-14,22H/b13-12+.
What are the key properties of (E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one?
(E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one has a molecular weight of 297.36 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one is sourced from PubChem (CID 6249312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).