1-(3-phenylprop-2-enyl)-2,3,3a,4,5,6,7,7a-octahydroindole

C17H23N — CID 71379396

IUPAC1-(3-phenylprop-2-enyl)-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESC(=Cc1ccccc1)CN1CCC2CCCCC21
InChIInChI=1S/C17H23N/c1-2-7-15(8-3-1)9-6-13-18-14-12-16-10-4-5-11-17(16)18/h1-3,6-9,16-17H,4-5,10-14H2
InChIKeyREZYBZOBKCVCFU-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.96
Rot. Bonds3

About 1-(3-phenylprop-2-enyl)-2,3,3a,4,5,6,7,7a-octahydroindole

1-(3-phenylprop-2-enyl)-2,3,3a,4,5,6,7,7a-octahydroindole (PubChem CID 71379396) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(3-phenylprop-2-enyl)-2,3,3a,4,5,6,7,7a-octahydroindole.

Molecular Properties

Compound Name1-(3-phenylprop-2-enyl)-2,3,3a,4,5,6,7,7a-octahydroindole
PubChem CID71379396
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name1-(3-phenylprop-2-enyl)-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESC(=Cc1ccccc1)CN1CCC2CCCCC21
InChIInChI=1S/C17H23N/c1-2-7-15(8-3-1)9-6-13-18-14-12-16-10-4-5-11-17(16)18/h1-3,6-9,16-17H,4-5,10-14H2
InChIKeyREZYBZOBKCVCFU-UHFFFAOYSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-phenylprop-2-enyl)-2,3,3a,4,5,6,7,7a-octahydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-4-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]but-2-en-1-amine
CID 131245397
1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid
CID 43442189
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetaldehyde
CID 82749846
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
[(4aS,6R,7aS)-4-[(E)-3-phenylprop-2-enyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methanol
CID 172896636
(3R)-N-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-3-amine
CID 42463367
[1-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 111781111
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]aniline
CID 82750298
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)but-2-en-1-amine
CID 77110447
1-(3-bromo-2-phenylpropyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750262
(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981598
(1S,4aR,8aS)-1-(4-fluorophenyl)-2-[(E)-3-phenylprop-2-enyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 7546059

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylprop-2-enyl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The IUPAC name of 1-(3-phenylprop-2-enyl)-2,3,3a,4,5,6,7,7a-octahydroindole (CID 71379396) is 1-(3-phenylprop-2-enyl)-2,3,3a,4,5,6,7,7a-octahydroindole.
What is the SMILES notation for 1-(3-phenylprop-2-enyl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The canonical SMILES for 1-(3-phenylprop-2-enyl)-2,3,3a,4,5,6,7,7a-octahydroindole is C(=Cc1ccccc1)CN1CCC2CCCCC21.
What is the InChIKey of 1-(3-phenylprop-2-enyl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The InChIKey is REZYBZOBKCVCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-2-7-15(8-3-1)9-6-13-18-14-12-16-10-4-5-11-17(16)18/h1-3,6-9,16-17H,4-5,10-14H2.
What are the key properties of 1-(3-phenylprop-2-enyl)-2,3,3a,4,5,6,7,7a-octahydroindole?
1-(3-phenylprop-2-enyl)-2,3,3a,4,5,6,7,7a-octahydroindole has a molecular weight of 241.38 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylprop-2-enyl)-2,3,3a,4,5,6,7,7a-octahydroindole is sourced from PubChem (CID 71379396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).