2-(3,4-dihydro-2H-chromen-2-yl)-2,3-dihydro-1H-indole

C17H17NO — CID 91333420

IUPAC2-(3,4-dihydro-2H-chromen-2-yl)-2,3-dihydro-1H-indole
SMILESc1ccc2c(c1)CC(C1CCc3ccccc3O1)N2
InChIInChI=1S/C17H17NO/c1-3-7-14-13(6-1)11-15(18-14)17-10-9-12-5-2-4-8-16(12)19-17/h1-8,15,17-18H,9-11H2
InChIKeyRSYORFWRSKWSRW-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.42
Rot. Bonds1

About 2-(3,4-dihydro-2H-chromen-2-yl)-2,3-dihydro-1H-indole

2-(3,4-dihydro-2H-chromen-2-yl)-2,3-dihydro-1H-indole (PubChem CID 91333420) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-2-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-2-yl)-2,3-dihydro-1H-indole
PubChem CID91333420
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-(3,4-dihydro-2H-chromen-2-yl)-2,3-dihydro-1H-indole
SMILESc1ccc2c(c1)CC(C1CCc3ccccc3O1)N2
InChIInChI=1S/C17H17NO/c1-3-7-14-13(6-1)11-15(18-14)17-10-9-12-5-2-4-8-16(12)19-17/h1-8,15,17-18H,9-11H2
InChIKeyRSYORFWRSKWSRW-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole
CID 139181598
(2R)-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene
CID 102531823
2-cyclohepta-2,4,6-trien-1-yl-3,4-dihydro-2H-chromene;methanamine
CID 142065588
2-(oxetan-3-yl)-3,4-dihydro-2H-chromene
CID 175976158
2-(1,3-dioxolan-2-yl)-2,3-dihydro-1H-indole
CID 91804990
(5aS,11aR)-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine
CID 54857340
2-(3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine
CID 22593685
azane;(2R)-2-methyl-3,4-dihydro-2H-chromene
CID 174522322
2-(2,3-dihydro-1H-indol-2-yl)cyclohexan-1-ol
CID 11031290
2-(2,3-dihydro-1-benzofuran-2-yl)piperidine
CID 54034431
(2S)-N-methyl-3,4-dihydro-2H-chromen-2-amine
CID 70116238
2-phenyl-3,4-dihydro-2H-chromene
CID 157336431

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-2-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-2-yl)-2,3-dihydro-1H-indole (CID 91333420) is 2-(3,4-dihydro-2H-chromen-2-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-2-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-2-yl)-2,3-dihydro-1H-indole is c1ccc2c(c1)CC(C1CCc3ccccc3O1)N2.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-2-yl)-2,3-dihydro-1H-indole?
The InChIKey is RSYORFWRSKWSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-3-7-14-13(6-1)11-15(18-14)17-10-9-12-5-2-4-8-16(12)19-17/h1-8,15,17-18H,9-11H2.
What are the key properties of 2-(3,4-dihydro-2H-chromen-2-yl)-2,3-dihydro-1H-indole?
2-(3,4-dihydro-2H-chromen-2-yl)-2,3-dihydro-1H-indole has a molecular weight of 251.33 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-2-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 91333420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).