2-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine

C19H22N2 — CID 5588

IUPAC2-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine
SMILESCc1ccc(C(=CCN2CCCC2)c2ccccn2)cc1
InChIInChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3
InChIKeyCBEQULMOCCWAQT-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.92
Rot. Bonds4

About 2-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine

2-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine (PubChem CID 5588) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine
PubChem CID5588
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine
SMILESCc1ccc(C(=CCN2CCCC2)c2ccccn2)cc1
InChIInChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3
InChIKeyCBEQULMOCCWAQT-UHFFFAOYSA-N
XLogP3.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine?
The IUPAC name of 2-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine (CID 5588) is 2-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine.
What is the SMILES notation for 2-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine?
The canonical SMILES for 2-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine is Cc1ccc(C(=CCN2CCCC2)c2ccccn2)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine?
The InChIKey is CBEQULMOCCWAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3.
What are the key properties of 2-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine?
2-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine has a molecular weight of 278.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine is sourced from PubChem (CID 5588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).