3-methyl-1-[(3E)-4-phenylhexa-1,3,5-trien-2-yl]pyrrolidine

C17H21N — CID 142422212

IUPAC3-methyl-1-[(3E)-4-phenylhexa-1,3,5-trien-2-yl]pyrrolidine
SMILESC=C/C(=C\C(=C)N1CCC(C)C1)c1ccccc1
InChIInChI=1S/C17H21N/c1-4-16(17-8-6-5-7-9-17)12-15(3)18-11-10-14(2)13-18/h4-9,12,14H,1,3,10-11,13H2,2H3/b16-12+
InChIKeyRJPNWBLRGFLIMM-FOWTUZBSSA-N
MW239.36 g/mol
LogP4.11
Rot. Bonds4

About 3-methyl-1-[(3E)-4-phenylhexa-1,3,5-trien-2-yl]pyrrolidine

3-methyl-1-[(3E)-4-phenylhexa-1,3,5-trien-2-yl]pyrrolidine (PubChem CID 142422212) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-methyl-1-[(3E)-4-phenylhexa-1,3,5-trien-2-yl]pyrrolidine.

Molecular Properties

Compound Name3-methyl-1-[(3E)-4-phenylhexa-1,3,5-trien-2-yl]pyrrolidine
PubChem CID142422212
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name3-methyl-1-[(3E)-4-phenylhexa-1,3,5-trien-2-yl]pyrrolidine
SMILESC=C/C(=C\C(=C)N1CCC(C)C1)c1ccccc1
InChIInChI=1S/C17H21N/c1-4-16(17-8-6-5-7-9-17)12-15(3)18-11-10-14(2)13-18/h4-9,12,14H,1,3,10-11,13H2,2H3/b16-12+
InChIKeyRJPNWBLRGFLIMM-FOWTUZBSSA-N
XLogP4.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 170209492
1-(3,3-diphenylprop-2-enyl)-4-methylpiperidine
CID 70921626
1-[(2-ethenylphenyl)methyl]-3-methylpyrrolidine
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(3,4-dimethylpiperazin-1-yl)-phenylmethanimine
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3-methyl-1-(1-prop-2-enoxyethenyl)pyrrolidine
CID 142201878
3-methyl-1-prop-1-en-2-ylpyrrolidine
CID 90249054
N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide
CID 86880652
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
acetaldehyde;buta-1,3-dien-2-ylbenzene
CID 23325207
bicyclo[2.2.0]hexane;[(3E,6E,8E)-6-methyl-5-methylidene-9-nitrosodeca-1,3,6,8-tetraen-3-yl]benzene;propane
CID 143071371

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3E)-4-phenylhexa-1,3,5-trien-2-yl]pyrrolidine?
The IUPAC name of 3-methyl-1-[(3E)-4-phenylhexa-1,3,5-trien-2-yl]pyrrolidine (CID 142422212) is 3-methyl-1-[(3E)-4-phenylhexa-1,3,5-trien-2-yl]pyrrolidine.
What is the SMILES notation for 3-methyl-1-[(3E)-4-phenylhexa-1,3,5-trien-2-yl]pyrrolidine?
The canonical SMILES for 3-methyl-1-[(3E)-4-phenylhexa-1,3,5-trien-2-yl]pyrrolidine is C=C/C(=C\C(=C)N1CCC(C)C1)c1ccccc1.
What is the InChIKey of 3-methyl-1-[(3E)-4-phenylhexa-1,3,5-trien-2-yl]pyrrolidine?
The InChIKey is RJPNWBLRGFLIMM-FOWTUZBSSA-N. The full InChI is InChI=1S/C17H21N/c1-4-16(17-8-6-5-7-9-17)12-15(3)18-11-10-14(2)13-18/h4-9,12,14H,1,3,10-11,13H2,2H3/b16-12+.
What are the key properties of 3-methyl-1-[(3E)-4-phenylhexa-1,3,5-trien-2-yl]pyrrolidine?
3-methyl-1-[(3E)-4-phenylhexa-1,3,5-trien-2-yl]pyrrolidine has a molecular weight of 239.36 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3E)-4-phenylhexa-1,3,5-trien-2-yl]pyrrolidine is sourced from PubChem (CID 142422212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).