buta-1,3-diene;1,2-dihydropyridine;ethane

C11H19N — CID 142283266

IUPACbuta-1,3-diene;1,2-dihydropyridine;ethane
SMILESC1=CCNC=C1.C=CC=C.CC
InChIInChI=1S/C5H7N.C4H6.C2H6/c1-2-4-6-5-3-1;1-3-4-2;1-2/h1-4,6H,5H2;3-4H,1-2H2;1-2H3
InChIKeyGZJHKQTYDHPJPF-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.04
Rot. Bonds1

About buta-1,3-diene;1,2-dihydropyridine;ethane

buta-1,3-diene;1,2-dihydropyridine;ethane (PubChem CID 142283266) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is buta-1,3-diene;1,2-dihydropyridine;ethane.

Molecular Properties

Compound Namebuta-1,3-diene;1,2-dihydropyridine;ethane
PubChem CID142283266
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Namebuta-1,3-diene;1,2-dihydropyridine;ethane
SMILESC1=CCNC=C1.C=CC=C.CC
InChIInChI=1S/C5H7N.C4H6.C2H6/c1-2-4-6-5-3-1;1-3-4-2;1-2/h1-4,6H,5H2;3-4H,1-2H2;1-2H3
InChIKeyGZJHKQTYDHPJPF-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;1,2-dihydropyridine;ethane?
The IUPAC name of buta-1,3-diene;1,2-dihydropyridine;ethane (CID 142283266) is buta-1,3-diene;1,2-dihydropyridine;ethane.
What is the SMILES notation for buta-1,3-diene;1,2-dihydropyridine;ethane?
The canonical SMILES for buta-1,3-diene;1,2-dihydropyridine;ethane is C1=CCNC=C1.C=CC=C.CC.
What is the InChIKey of buta-1,3-diene;1,2-dihydropyridine;ethane?
The InChIKey is GZJHKQTYDHPJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C4H6.C2H6/c1-2-4-6-5-3-1;1-3-4-2;1-2/h1-4,6H,5H2;3-4H,1-2H2;1-2H3.
What are the key properties of buta-1,3-diene;1,2-dihydropyridine;ethane?
buta-1,3-diene;1,2-dihydropyridine;ethane has a molecular weight of 165.28 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;1,2-dihydropyridine;ethane is sourced from PubChem (CID 142283266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).