1-benzyl-3-methylidene-4-[(E)-pent-3-enyl]pyrrolidine

C17H23N — CID 10847705

IUPAC1-benzyl-3-methylidene-4-[(E)-pent-3-enyl]pyrrolidine
SMILESC=C1CN(Cc2ccccc2)CC1CC/C=C/C
InChIInChI=1S/C17H23N/c1-3-4-6-11-17-14-18(12-15(17)2)13-16-9-7-5-8-10-16/h3-5,7-10,17H,2,6,11-14H2,1H3/b4-3+
InChIKeyGNEUAADQXZYRJT-ONEGZZNKSA-N
MW241.38 g/mol
LogP4.03
Rot. Bonds5

About 1-benzyl-3-methylidene-4-[(E)-pent-3-enyl]pyrrolidine

1-benzyl-3-methylidene-4-[(E)-pent-3-enyl]pyrrolidine (PubChem CID 10847705) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-benzyl-3-methylidene-4-[(E)-pent-3-enyl]pyrrolidine.

Molecular Properties

Compound Name1-benzyl-3-methylidene-4-[(E)-pent-3-enyl]pyrrolidine
PubChem CID10847705
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name1-benzyl-3-methylidene-4-[(E)-pent-3-enyl]pyrrolidine
SMILESC=C1CN(Cc2ccccc2)CC1CC/C=C/C
InChIInChI=1S/C17H23N/c1-3-4-6-11-17-14-18(12-15(17)2)13-16-9-7-5-8-10-16/h3-5,7-10,17H,2,6,11-14H2,1H3/b4-3+
InChIKeyGNEUAADQXZYRJT-ONEGZZNKSA-N
XLogP4.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(1-benzyl-4-methylidenepyrrolidin-3-yl)acetate
CID 15265293
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1-(1-benzyl-3-methylidenepiperidin-4-yl)ethanone
CID 10889700
(3R,5R)-1-benzyl-4-bromo-3,5-dimethylpiperidine
CID 97176892
3-(1-benzylazetidin-3-yl)propanal
CID 83908522
2-benzyl-4-tert-butyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 118072736
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
(4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-one
CID 95242083
3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane
CID 134073287
1-benzylpyrrolidine;propane
CID 143692089
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methylidene-4-[(E)-pent-3-enyl]pyrrolidine?
The IUPAC name of 1-benzyl-3-methylidene-4-[(E)-pent-3-enyl]pyrrolidine (CID 10847705) is 1-benzyl-3-methylidene-4-[(E)-pent-3-enyl]pyrrolidine.
What is the SMILES notation for 1-benzyl-3-methylidene-4-[(E)-pent-3-enyl]pyrrolidine?
The canonical SMILES for 1-benzyl-3-methylidene-4-[(E)-pent-3-enyl]pyrrolidine is C=C1CN(Cc2ccccc2)CC1CC/C=C/C.
What is the InChIKey of 1-benzyl-3-methylidene-4-[(E)-pent-3-enyl]pyrrolidine?
The InChIKey is GNEUAADQXZYRJT-ONEGZZNKSA-N. The full InChI is InChI=1S/C17H23N/c1-3-4-6-11-17-14-18(12-15(17)2)13-16-9-7-5-8-10-16/h3-5,7-10,17H,2,6,11-14H2,1H3/b4-3+.
What are the key properties of 1-benzyl-3-methylidene-4-[(E)-pent-3-enyl]pyrrolidine?
1-benzyl-3-methylidene-4-[(E)-pent-3-enyl]pyrrolidine has a molecular weight of 241.38 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methylidene-4-[(E)-pent-3-enyl]pyrrolidine is sourced from PubChem (CID 10847705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).