1-penta-1,2,4-trien-3-yl-2,3-dihydroindole

C13H13N — CID 145126142

IUPAC1-penta-1,2,4-trien-3-yl-2,3-dihydroindole
SMILESC=C=C(C=C)N1CCc2ccccc21
InChIInChI=1S/C13H13N/c1-3-12(4-2)14-10-9-11-7-5-6-8-13(11)14/h3,5-8H,1-2,9-10H2
InChIKeyUMPMOGYXHINKMU-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.90
Rot. Bonds2

About 1-penta-1,2,4-trien-3-yl-2,3-dihydroindole

1-penta-1,2,4-trien-3-yl-2,3-dihydroindole (PubChem CID 145126142) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-penta-1,2,4-trien-3-yl-2,3-dihydroindole.

Molecular Properties

Compound Name1-penta-1,2,4-trien-3-yl-2,3-dihydroindole
PubChem CID145126142
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name1-penta-1,2,4-trien-3-yl-2,3-dihydroindole
SMILESC=C=C(C=C)N1CCc2ccccc21
InChIInChI=1S/C13H13N/c1-3-12(4-2)14-10-9-11-7-5-6-8-13(11)14/h3,5-8H,1-2,9-10H2
InChIKeyUMPMOGYXHINKMU-UHFFFAOYSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1,2,2-triphenylethenyl)-2,3-dihydroindole
CID 123446002
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 126972145
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 76944392
N'-ethyl-2,3-dihydroindole-1-carboximidamide
CID 62360655
bromo 2,3-dihydroindole-1-carboxylate
CID 140683815
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
(E)-1-(2,3-dihydroindol-1-yl)-3-phenylprop-2-en-1-one
CID 708145
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
4-(2,3-dihydroindol-1-yl)-4-oxo-2,2-diphenylbutanenitrile
CID 2442392
N-benzyl-N-prop-2-enyl-2,3-dihydroindole-1-carboxamide
CID 112824415
1-[(2E)-2-ethenylpenta-2,4-dienyl]-2,3-dihydroindole
CID 145056471

Frequently Asked Questions

What is the IUPAC name of 1-penta-1,2,4-trien-3-yl-2,3-dihydroindole?
The IUPAC name of 1-penta-1,2,4-trien-3-yl-2,3-dihydroindole (CID 145126142) is 1-penta-1,2,4-trien-3-yl-2,3-dihydroindole.
What is the SMILES notation for 1-penta-1,2,4-trien-3-yl-2,3-dihydroindole?
The canonical SMILES for 1-penta-1,2,4-trien-3-yl-2,3-dihydroindole is C=C=C(C=C)N1CCc2ccccc21.
What is the InChIKey of 1-penta-1,2,4-trien-3-yl-2,3-dihydroindole?
The InChIKey is UMPMOGYXHINKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-3-12(4-2)14-10-9-11-7-5-6-8-13(11)14/h3,5-8H,1-2,9-10H2.
What are the key properties of 1-penta-1,2,4-trien-3-yl-2,3-dihydroindole?
1-penta-1,2,4-trien-3-yl-2,3-dihydroindole has a molecular weight of 183.25 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-penta-1,2,4-trien-3-yl-2,3-dihydroindole is sourced from PubChem (CID 145126142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).