6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine

C9H15N — CID 135038641

IUPAC6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine
SMILESC/C=C(\C)C1=NCCCC1
InChIInChI=1S/C9H15N/c1-3-8(2)9-6-4-5-7-10-9/h3H,4-7H2,1-2H3/b8-3+
InChIKeyHKILPPJUSIAPMB-FPYGCLRLSA-N
MW137.23 g/mol
LogP2.58
Rot. Bonds1

About 6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine

6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine (PubChem CID 135038641) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine
PubChem CID135038641
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine
SMILESC/C=C(\C)C1=NCCCC1
InChIInChI=1S/C9H15N/c1-3-8(2)9-6-4-5-7-10-9/h3H,4-7H2,1-2H3/b8-3+
InChIKeyHKILPPJUSIAPMB-FPYGCLRLSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine 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

1-(2-(3,4,5,6-Tetrahydropyridyl))-1,3-pentadiene
CID 6444364
Lanopylin B1
CID 10087332
6-Hepta-1,3,5-trienyl-2,3,4,5-tetrahydropyridine
CID 442650
Nigrifactin
CID 5281688
4-Heptadecylidene-5-methyl-3,4-dihydro-2H-pyrrole
CID 71374074
2-(1-Propenyl)-delta1-piperideine
CID 56972723
Lanopylin B2
CID 11279421
6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
CID 15937508
5-Methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole
CID 72781473
6-Prop-1-enyl-2,3,4,5-tetrahydropyridine
CID 76453742
Koreenceine A
CID 146683591
5-Ethyl-4-(propan-2-ylidene)-3,4-dihydro-2H-pyrrole
CID 13272518

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine (CID 135038641) is 6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine is C/C=C(\C)C1=NCCCC1.
What is the InChIKey of 6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine?
The InChIKey is HKILPPJUSIAPMB-FPYGCLRLSA-N. The full InChI is InChI=1S/C9H15N/c1-3-8(2)9-6-4-5-7-10-9/h3H,4-7H2,1-2H3/b8-3+.
What are the key properties of 6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine?
6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 135038641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).