4-[(1Z,3E)-1-iodopenta-1,3-dien-3-yl]-1-methyl-3,6-dihydro-2H-pyridine

C11H16IN — CID 143046246

IUPAC4-[(1Z,3E)-1-iodopenta-1,3-dien-3-yl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESC/C=C(\C=C/I)C1=CCN(C)CC1
InChIInChI=1S/C11H16IN/c1-3-10(4-7-12)11-5-8-13(2)9-6-11/h3-5,7H,6,8-9H2,1-2H3/b7-4-,10-3+
InChIKeyKUGFRPQSWSVXOU-PZPRPFQRSA-N
MW289.16 g/mol
LogP3.14
Rot. Bonds2

About 4-[(1Z,3E)-1-iodopenta-1,3-dien-3-yl]-1-methyl-3,6-dihydro-2H-pyridine

4-[(1Z,3E)-1-iodopenta-1,3-dien-3-yl]-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 143046246) has the molecular formula C11H16IN and a molecular weight of 289.16 g/mol. Its IUPAC name is 4-[(1Z,3E)-1-iodopenta-1,3-dien-3-yl]-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-[(1Z,3E)-1-iodopenta-1,3-dien-3-yl]-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID143046246
Molecular FormulaC11H16IN
Molecular Weight289.16 g/mol
Exact Mass289.03
IUPAC Name4-[(1Z,3E)-1-iodopenta-1,3-dien-3-yl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESC/C=C(\C=C/I)C1=CCN(C)CC1
InChIInChI=1S/C11H16IN/c1-3-10(4-7-12)11-5-8-13(2)9-6-11/h3-5,7H,6,8-9H2,1-2H3/b7-4-,10-3+
InChIKeyKUGFRPQSWSVXOU-PZPRPFQRSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1Z,3E)-1-iodopenta-1,3-dien-3-yl]-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-[(1Z,3E)-1-iodopenta-1,3-dien-3-yl]-1-methyl-3,6-dihydro-2H-pyridine (CID 143046246) is 4-[(1Z,3E)-1-iodopenta-1,3-dien-3-yl]-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-[(1Z,3E)-1-iodopenta-1,3-dien-3-yl]-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-[(1Z,3E)-1-iodopenta-1,3-dien-3-yl]-1-methyl-3,6-dihydro-2H-pyridine is C/C=C(\C=C/I)C1=CCN(C)CC1.
What is the InChIKey of 4-[(1Z,3E)-1-iodopenta-1,3-dien-3-yl]-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is KUGFRPQSWSVXOU-PZPRPFQRSA-N. The full InChI is InChI=1S/C11H16IN/c1-3-10(4-7-12)11-5-8-13(2)9-6-11/h3-5,7H,6,8-9H2,1-2H3/b7-4-,10-3+.
What are the key properties of 4-[(1Z,3E)-1-iodopenta-1,3-dien-3-yl]-1-methyl-3,6-dihydro-2H-pyridine?
4-[(1Z,3E)-1-iodopenta-1,3-dien-3-yl]-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 289.16 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z,3E)-1-iodopenta-1,3-dien-3-yl]-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 143046246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).