1-[(2E)-2-ethenylpenta-2,4-dienyl]-2,3-dihydroindole

C15H17N — CID 145056471

IUPAC1-[(2E)-2-ethenylpenta-2,4-dienyl]-2,3-dihydroindole
SMILESC=C/C=C(\C=C)CN1CCc2ccccc21
InChIInChI=1S/C15H17N/c1-3-7-13(4-2)12-16-11-10-14-8-5-6-9-15(14)16/h3-9H,1-2,10-12H2/b13-7+
InChIKeyBWMVUHKSQKBOJH-NTUHNPAUSA-N
MW211.31 g/mol
LogP3.35
Rot. Bonds4

About 1-[(2E)-2-ethenylpenta-2,4-dienyl]-2,3-dihydroindole

1-[(2E)-2-ethenylpenta-2,4-dienyl]-2,3-dihydroindole (PubChem CID 145056471) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[(2E)-2-ethenylpenta-2,4-dienyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(2E)-2-ethenylpenta-2,4-dienyl]-2,3-dihydroindole
PubChem CID145056471
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name1-[(2E)-2-ethenylpenta-2,4-dienyl]-2,3-dihydroindole
SMILESC=C/C=C(\C=C)CN1CCc2ccccc21
InChIInChI=1S/C15H17N/c1-3-7-13(4-2)12-16-11-10-14-8-5-6-9-15(14)16/h3-9H,1-2,10-12H2/b13-7+
InChIKeyBWMVUHKSQKBOJH-NTUHNPAUSA-N
XLogP3.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.35
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-[(2E)-2-ethenylpenta-2,4-dienyl]-2,3-dihydroindole;nitromethane
CID 145056470
1-(2-methylprop-2-enyl)-2,3-dihydroindole
CID 15723561
2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide
CID 24703377
2-(2,3-dihydroindol-1-yl)acetate
CID 6935608
6-[(2E)-2-ethenylpenta-2,4-dienyl]-7,8-dihydro-5H-1,6-naphthyridine
CID 177022160
1-cyclopropyl-2-(2,3-dihydroindol-1-yl)ethanone
CID 63912554
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
1-[(2E)-2-ethenylpenta-2,4-dienyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 142133205
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
CID 61251337
(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-N-ethenyl-3-fluorobut-2-en-2-amine
CID 143672460
2,3-dihydroindol-1-ylmethylphosphonic acid
CID 53215241

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-2-ethenylpenta-2,4-dienyl]-2,3-dihydroindole?
The IUPAC name of 1-[(2E)-2-ethenylpenta-2,4-dienyl]-2,3-dihydroindole (CID 145056471) is 1-[(2E)-2-ethenylpenta-2,4-dienyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[(2E)-2-ethenylpenta-2,4-dienyl]-2,3-dihydroindole?
The canonical SMILES for 1-[(2E)-2-ethenylpenta-2,4-dienyl]-2,3-dihydroindole is C=C/C=C(\C=C)CN1CCc2ccccc21.
What is the InChIKey of 1-[(2E)-2-ethenylpenta-2,4-dienyl]-2,3-dihydroindole?
The InChIKey is BWMVUHKSQKBOJH-NTUHNPAUSA-N. The full InChI is InChI=1S/C15H17N/c1-3-7-13(4-2)12-16-11-10-14-8-5-6-9-15(14)16/h3-9H,1-2,10-12H2/b13-7+.
What are the key properties of 1-[(2E)-2-ethenylpenta-2,4-dienyl]-2,3-dihydroindole?
1-[(2E)-2-ethenylpenta-2,4-dienyl]-2,3-dihydroindole has a molecular weight of 211.31 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-2-ethenylpenta-2,4-dienyl]-2,3-dihydroindole is sourced from PubChem (CID 145056471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).