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

C19H22N2 — CID 70381003

IUPAC2-[(E)-3-(4-methylphenyl)-1-pyrrolidin-1-ylprop-2-enyl]pyridine
SMILESCc1ccc(/C=C/C(c2ccccn2)N2CCCC2)cc1
InChIInChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)11-12-19(21-14-4-5-15-21)18-6-2-3-13-20-18/h2-3,6-13,19H,4-5,14-15H2,1H3/b12-11+
InChIKeyODPWZVCMBNIVJF-VAWYXSNFSA-N
MW278.40 g/mol
LogP4.24
Rot. Bonds4

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

2-[(E)-3-(4-methylphenyl)-1-pyrrolidin-1-ylprop-2-enyl]pyridine (PubChem CID 70381003) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[(E)-3-(4-methylphenyl)-1-pyrrolidin-1-ylprop-2-enyl]pyridine.

Molecular Properties

Compound Name2-[(E)-3-(4-methylphenyl)-1-pyrrolidin-1-ylprop-2-enyl]pyridine
PubChem CID70381003
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-[(E)-3-(4-methylphenyl)-1-pyrrolidin-1-ylprop-2-enyl]pyridine
SMILESCc1ccc(/C=C/C(c2ccccn2)N2CCCC2)cc1
InChIInChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)11-12-19(21-14-4-5-15-21)18-6-2-3-13-20-18/h2-3,6-13,19H,4-5,14-15H2,1H3/b12-11+
InChIKeyODPWZVCMBNIVJF-VAWYXSNFSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 110373433
1-methylpiperidine;2-propan-2-ylpyridine
CID 156652028
[(E,2R)-4-(4-methylphenyl)but-3-en-2-yl] pyridine-2-carboxylate
CID 101499826
1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine
CID 5017511
1-(1-pyridin-2-ylethyl)-1,4-diazepane
CID 3815580
4-[(1S)-1-pyridin-2-ylethyl]-1,4-thiazepane
CID 97100104
4-[(E)-4-iodo-3-pyridin-2-ylbut-1-enyl]-N,N-dimethylaniline
CID 91871787
tris(dimethylamino)-[(E)-2-(4-methylphenyl)ethenyl]phosphanium chloride
CID 11726818
(E)-4-phenyl-2-pyrrolidin-1-ylbut-3-enoic acid
CID 102378815
1-[(2-methylphenyl)-pyridin-2-ylmethyl]-1,4-diazepane
CID 5106735
[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-triphenylphosphanium
CID 58231993
2-(1-chloroprop-2-ynyl)pyridine
CID 146397078

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-(4-methylphenyl)-1-pyrrolidin-1-ylprop-2-enyl]pyridine?
The IUPAC name of 2-[(E)-3-(4-methylphenyl)-1-pyrrolidin-1-ylprop-2-enyl]pyridine (CID 70381003) is 2-[(E)-3-(4-methylphenyl)-1-pyrrolidin-1-ylprop-2-enyl]pyridine.
What is the SMILES notation for 2-[(E)-3-(4-methylphenyl)-1-pyrrolidin-1-ylprop-2-enyl]pyridine?
The canonical SMILES for 2-[(E)-3-(4-methylphenyl)-1-pyrrolidin-1-ylprop-2-enyl]pyridine is Cc1ccc(/C=C/C(c2ccccn2)N2CCCC2)cc1.
What is the InChIKey of 2-[(E)-3-(4-methylphenyl)-1-pyrrolidin-1-ylprop-2-enyl]pyridine?
The InChIKey is ODPWZVCMBNIVJF-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)11-12-19(21-14-4-5-15-21)18-6-2-3-13-20-18/h2-3,6-13,19H,4-5,14-15H2,1H3/b12-11+.
What are the key properties of 2-[(E)-3-(4-methylphenyl)-1-pyrrolidin-1-ylprop-2-enyl]pyridine?
2-[(E)-3-(4-methylphenyl)-1-pyrrolidin-1-ylprop-2-enyl]pyridine has a molecular weight of 278.40 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-(4-methylphenyl)-1-pyrrolidin-1-ylprop-2-enyl]pyridine is sourced from PubChem (CID 70381003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).