4-[(Z)-but-2-en-2-yl]-1,2,3,6-tetrahydropyridine

C9H15N — CID 69489122

IUPAC4-[(Z)-but-2-en-2-yl]-1,2,3,6-tetrahydropyridine
SMILESC/C=C(/C)C1=CCNCC1
InChIInChI=1S/C9H15N/c1-3-8(2)9-4-6-10-7-5-9/h3-4,10H,5-7H2,1-2H3/b8-3-
InChIKeyAVUWVNHWDPOYAT-BAQGIRSFSA-N
MW137.23 g/mol
LogP1.87
Rot. Bonds1

About 4-[(Z)-but-2-en-2-yl]-1,2,3,6-tetrahydropyridine

4-[(Z)-but-2-en-2-yl]-1,2,3,6-tetrahydropyridine (PubChem CID 69489122) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 4-[(Z)-but-2-en-2-yl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[(Z)-but-2-en-2-yl]-1,2,3,6-tetrahydropyridine
PubChem CID69489122
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name4-[(Z)-but-2-en-2-yl]-1,2,3,6-tetrahydropyridine
SMILESC/C=C(/C)C1=CCNCC1
InChIInChI=1S/C9H15N/c1-3-8(2)9-4-6-10-7-5-9/h3-4,10H,5-7H2,1-2H3/b8-3-
InChIKeyAVUWVNHWDPOYAT-BAQGIRSFSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-2-en-2-yl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[(Z)-but-2-en-2-yl]-1,2,3,6-tetrahydropyridine (CID 69489122) is 4-[(Z)-but-2-en-2-yl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[(Z)-but-2-en-2-yl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[(Z)-but-2-en-2-yl]-1,2,3,6-tetrahydropyridine is C/C=C(/C)C1=CCNCC1.
What is the InChIKey of 4-[(Z)-but-2-en-2-yl]-1,2,3,6-tetrahydropyridine?
The InChIKey is AVUWVNHWDPOYAT-BAQGIRSFSA-N. The full InChI is InChI=1S/C9H15N/c1-3-8(2)9-4-6-10-7-5-9/h3-4,10H,5-7H2,1-2H3/b8-3-.
What are the key properties of 4-[(Z)-but-2-en-2-yl]-1,2,3,6-tetrahydropyridine?
4-[(Z)-but-2-en-2-yl]-1,2,3,6-tetrahydropyridine has a molecular weight of 137.23 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-2-en-2-yl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 69489122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).