3-(4H-chromen-4-yl)-1H-indole

C17H13NO — CID 91355183

IUPAC3-(4H-chromen-4-yl)-1H-indole
SMILESC1=CC(c2c[nH]c3ccccc23)c2ccccc2O1
InChIInChI=1S/C17H13NO/c1-3-7-16-13(5-1)15(11-18-16)12-9-10-19-17-8-4-2-6-14(12)17/h1-12,18H
InChIKeyZEAPXLQNULSRRN-UHFFFAOYSA-N
MW247.30 g/mol
LogP4.21
Rot. Bonds1

About 3-(4H-chromen-4-yl)-1H-indole

3-(4H-chromen-4-yl)-1H-indole (PubChem CID 91355183) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-(4H-chromen-4-yl)-1H-indole.

Molecular Properties

Compound Name3-(4H-chromen-4-yl)-1H-indole
PubChem CID91355183
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name3-(4H-chromen-4-yl)-1H-indole
SMILESC1=CC(c2c[nH]c3ccccc23)c2ccccc2O1
InChIInChI=1S/C17H13NO/c1-3-7-16-13(5-1)15(11-18-16)12-9-10-19-17-8-4-2-6-14(12)17/h1-12,18H
InChIKeyZEAPXLQNULSRRN-UHFFFAOYSA-N
XLogP4.21
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1,3-bis(1H-indol-3-yl)-3H-pyrrol-2-one
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(1S,3R)-3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine
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3-(oxolan-3-yl)-1H-indole
CID 146673552
(5R)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
CID 125484827
8-(1H-indol-3-yl)-11-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,9,12,14-heptaene
CID 139526372
(1S)-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 905885
(5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
CID 125484828
3-(oxan-2-yl)-1H-indole
CID 174577844
3-[2-(4-methylphenyl)-3-nitro-3,4-dihydro-2H-chromen-4-yl]-1H-indole
CID 101490931

Frequently Asked Questions

What is the IUPAC name of 3-(4H-chromen-4-yl)-1H-indole?
The IUPAC name of 3-(4H-chromen-4-yl)-1H-indole (CID 91355183) is 3-(4H-chromen-4-yl)-1H-indole.
What is the SMILES notation for 3-(4H-chromen-4-yl)-1H-indole?
The canonical SMILES for 3-(4H-chromen-4-yl)-1H-indole is C1=CC(c2c[nH]c3ccccc23)c2ccccc2O1.
What is the InChIKey of 3-(4H-chromen-4-yl)-1H-indole?
The InChIKey is ZEAPXLQNULSRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c1-3-7-16-13(5-1)15(11-18-16)12-9-10-19-17-8-4-2-6-14(12)17/h1-12,18H.
What are the key properties of 3-(4H-chromen-4-yl)-1H-indole?
3-(4H-chromen-4-yl)-1H-indole has a molecular weight of 247.30 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4H-chromen-4-yl)-1H-indole is sourced from PubChem (CID 91355183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).