1-penta-1,4-dien-2-yl-2H-pyridine

C10H13N — CID 69194691

IUPAC1-penta-1,4-dien-2-yl-2H-pyridine
SMILESC=CCC(=C)N1C=CC=CC1
InChIInChI=1S/C10H13N/c1-3-7-10(2)11-8-5-4-6-9-11/h3-6,8H,1-2,7,9H2
InChIKeyFSHVXCADSFDSDZ-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.46
Rot. Bonds3

About 1-penta-1,4-dien-2-yl-2H-pyridine

1-penta-1,4-dien-2-yl-2H-pyridine (PubChem CID 69194691) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-penta-1,4-dien-2-yl-2H-pyridine.

Molecular Properties

Compound Name1-penta-1,4-dien-2-yl-2H-pyridine
PubChem CID69194691
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name1-penta-1,4-dien-2-yl-2H-pyridine
SMILESC=CCC(=C)N1C=CC=CC1
InChIInChI=1S/C10H13N/c1-3-7-10(2)11-8-5-4-6-9-11/h3-6,8H,1-2,7,9H2
InChIKeyFSHVXCADSFDSDZ-UHFFFAOYSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-penta-1,4-dien-2-yl-2H-pyridine?
The IUPAC name of 1-penta-1,4-dien-2-yl-2H-pyridine (CID 69194691) is 1-penta-1,4-dien-2-yl-2H-pyridine.
What is the SMILES notation for 1-penta-1,4-dien-2-yl-2H-pyridine?
The canonical SMILES for 1-penta-1,4-dien-2-yl-2H-pyridine is C=CCC(=C)N1C=CC=CC1.
What is the InChIKey of 1-penta-1,4-dien-2-yl-2H-pyridine?
The InChIKey is FSHVXCADSFDSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-3-7-10(2)11-8-5-4-6-9-11/h3-6,8H,1-2,7,9H2.
What are the key properties of 1-penta-1,4-dien-2-yl-2H-pyridine?
1-penta-1,4-dien-2-yl-2H-pyridine has a molecular weight of 147.22 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-penta-1,4-dien-2-yl-2H-pyridine is sourced from PubChem (CID 69194691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).