1-cyclohexyl-5-ethenyl-2,3-dihydroindole

C16H21N — CID 66772198

IUPAC1-cyclohexyl-5-ethenyl-2,3-dihydroindole
SMILESC=Cc1ccc2c(c1)CCN2C1CCCCC1
InChIInChI=1S/C16H21N/c1-2-13-8-9-16-14(12-13)10-11-17(16)15-6-4-3-5-7-15/h2,8-9,12,15H,1,3-7,10-11H2
InChIKeyFBYQDRQIYKBRIK-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.02
Rot. Bonds2

About 1-cyclohexyl-5-ethenyl-2,3-dihydroindole

1-cyclohexyl-5-ethenyl-2,3-dihydroindole (PubChem CID 66772198) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-cyclohexyl-5-ethenyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-cyclohexyl-5-ethenyl-2,3-dihydroindole
PubChem CID66772198
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name1-cyclohexyl-5-ethenyl-2,3-dihydroindole
SMILESC=Cc1ccc2c(c1)CCN2C1CCCCC1
InChIInChI=1S/C16H21N/c1-2-13-8-9-16-14(12-13)10-11-17(16)15-6-4-3-5-7-15/h2,8-9,12,15H,1,3-7,10-11H2
InChIKeyFBYQDRQIYKBRIK-UHFFFAOYSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

1-(1-cyclohexyl-2,3-dihydroindol-5-yl)ethanol
CID 117118466
(1-cyclopentyl-2,3-dihydroindol-5-yl)methanamine
CID 115115353
2-(1-cyclopentyl-2,3-dihydroindol-5-yl)propan-2-ol
CID 115115348
2-(1-cyclopentyl-2,3-dihydroindol-5-yl)ethanamine
CID 115115356
2-(1-cyclohexyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 117118471
(1-cyclobutyl-2,3-dihydroindol-5-yl)methanamine
CID 115115080
6-ethenyl-1-ethyl-3,4-dihydro-2H-quinoline
CID 170444076
(3aR)-7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline
CID 163673039
2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
CID 13380222
5-fluoro-1-piperidin-4-yl-2,3-dihydroindole
CID 67417842
2-(1-cyclopentyl-2,3-dihydroindol-6-yl)propan-1-ol
CID 115115373
N-(1-cyclohexyl-2,3-dihydroindol-6-yl)acetamide
CID 142743455

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-ethenyl-2,3-dihydroindole?
The IUPAC name of 1-cyclohexyl-5-ethenyl-2,3-dihydroindole (CID 66772198) is 1-cyclohexyl-5-ethenyl-2,3-dihydroindole.
What is the SMILES notation for 1-cyclohexyl-5-ethenyl-2,3-dihydroindole?
The canonical SMILES for 1-cyclohexyl-5-ethenyl-2,3-dihydroindole is C=Cc1ccc2c(c1)CCN2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-ethenyl-2,3-dihydroindole?
The InChIKey is FBYQDRQIYKBRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-2-13-8-9-16-14(12-13)10-11-17(16)15-6-4-3-5-7-15/h2,8-9,12,15H,1,3-7,10-11H2.
What are the key properties of 1-cyclohexyl-5-ethenyl-2,3-dihydroindole?
1-cyclohexyl-5-ethenyl-2,3-dihydroindole has a molecular weight of 227.35 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-ethenyl-2,3-dihydroindole is sourced from PubChem (CID 66772198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).