8-[(E)-but-2-enyl]-5,6,7,8-tetrahydroquinoline

C13H17N — CID 67125733

IUPAC8-[(E)-but-2-enyl]-5,6,7,8-tetrahydroquinoline
SMILESC/C=C/CC1CCCc2cccnc21
InChIInChI=1S/C13H17N/c1-2-3-6-11-7-4-8-12-9-5-10-14-13(11)12/h2-3,5,9-11H,4,6-8H2,1H3/b3-2+
InChIKeyPEXHUEDSULPQLI-NSCUHMNNSA-N
MW187.29 g/mol
LogP3.47
Rot. Bonds2

About 8-[(E)-but-2-enyl]-5,6,7,8-tetrahydroquinoline

8-[(E)-but-2-enyl]-5,6,7,8-tetrahydroquinoline (PubChem CID 67125733) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 8-[(E)-but-2-enyl]-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name8-[(E)-but-2-enyl]-5,6,7,8-tetrahydroquinoline
PubChem CID67125733
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name8-[(E)-but-2-enyl]-5,6,7,8-tetrahydroquinoline
SMILESC/C=C/CC1CCCc2cccnc21
InChIInChI=1S/C13H17N/c1-2-3-6-11-7-4-8-12-9-5-10-14-13(11)12/h2-3,5,9-11H,4,6-8H2,1H3/b3-2+
InChIKeyPEXHUEDSULPQLI-NSCUHMNNSA-N
XLogP3.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]acetaldehyde
CID 93476901
5,6,7,8-tetrahydroquinolin-8-ylmethylhydrazine
CID 105220811
7-prop-2-enyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 115410429
3-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 19851779
trimethyl(5,6,7,8-tetrahydroquinolin-8-yl)silane
CID 130535889
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79738591
8-(3-chloro-4,4-dimethylpentyl)-5,6,7,8-tetrahydroquinoline
CID 79738883
2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol
CID 79740095
(8S)-5,6,7,8-tetrahydroquinolin-8-ol
CID 11480532

Frequently Asked Questions

What is the IUPAC name of 8-[(E)-but-2-enyl]-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 8-[(E)-but-2-enyl]-5,6,7,8-tetrahydroquinoline (CID 67125733) is 8-[(E)-but-2-enyl]-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 8-[(E)-but-2-enyl]-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 8-[(E)-but-2-enyl]-5,6,7,8-tetrahydroquinoline is C/C=C/CC1CCCc2cccnc21.
What is the InChIKey of 8-[(E)-but-2-enyl]-5,6,7,8-tetrahydroquinoline?
The InChIKey is PEXHUEDSULPQLI-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H17N/c1-2-3-6-11-7-4-8-12-9-5-10-14-13(11)12/h2-3,5,9-11H,4,6-8H2,1H3/b3-2+.
What are the key properties of 8-[(E)-but-2-enyl]-5,6,7,8-tetrahydroquinoline?
8-[(E)-but-2-enyl]-5,6,7,8-tetrahydroquinoline has a molecular weight of 187.29 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-but-2-enyl]-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 67125733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).