1-[(E)-2-methoxy-1-phenylethenyl]pyrrolidine

C13H17NO — CID 15150604

IUPAC1-[(E)-2-methoxy-1-phenylethenyl]pyrrolidine
SMILESCO/C=C(\c1ccccc1)N1CCCC1
InChIInChI=1S/C13H17NO/c1-15-11-13(14-9-5-6-10-14)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3/b13-11+
InChIKeyUDJPXVVQQZACJU-ACCUITESSA-N
MW203.29 g/mol
LogP2.73
Rot. Bonds3

About 1-[(E)-2-methoxy-1-phenylethenyl]pyrrolidine

1-[(E)-2-methoxy-1-phenylethenyl]pyrrolidine (PubChem CID 15150604) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-[(E)-2-methoxy-1-phenylethenyl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-2-methoxy-1-phenylethenyl]pyrrolidine
PubChem CID15150604
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-[(E)-2-methoxy-1-phenylethenyl]pyrrolidine
SMILESCO/C=C(\c1ccccc1)N1CCCC1
InChIInChI=1S/C13H17NO/c1-15-11-13(14-9-5-6-10-14)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3/b13-11+
InChIKeyUDJPXVVQQZACJU-ACCUITESSA-N
XLogP2.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-Benzyloxazolidine
CID 319258
Pyrrolidine, 1-(1-phenylethyl)-
CID 3057972
4-[(1E)-1-phenylprop-1-en-1-yl]morpholine
CID 6370493
Oxazolidine, 3-(1-phenylbutyl)-, hydrochloride
CID 3056418
Pyrrolidine, 1-benzyl-2,5-dimethyl-
CID 563059
1-(1-Phenylvinyl)pyrrolidine
CID 599085
Parecoxib Impurity 72
CID 12404512
1-Benzyl-3-methylpyrrolidine
CID 12464329
2-Phenyl-1-propan-2-ylpyrrolidine
CID 57985236
1-(1-Phenylpropyl)pyrrolidine
CID 3057963
3-Benzyl-4-methyl-1,3-oxazol-2-one
CID 10867121
1-Benzyl-2,5-bis(ethenyl)pyrrolidine
CID 12155503

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-methoxy-1-phenylethenyl]pyrrolidine?
The IUPAC name of 1-[(E)-2-methoxy-1-phenylethenyl]pyrrolidine (CID 15150604) is 1-[(E)-2-methoxy-1-phenylethenyl]pyrrolidine.
What is the SMILES notation for 1-[(E)-2-methoxy-1-phenylethenyl]pyrrolidine?
The canonical SMILES for 1-[(E)-2-methoxy-1-phenylethenyl]pyrrolidine is CO/C=C(\c1ccccc1)N1CCCC1.
What is the InChIKey of 1-[(E)-2-methoxy-1-phenylethenyl]pyrrolidine?
The InChIKey is UDJPXVVQQZACJU-ACCUITESSA-N. The full InChI is InChI=1S/C13H17NO/c1-15-11-13(14-9-5-6-10-14)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3/b13-11+.
What are the key properties of 1-[(E)-2-methoxy-1-phenylethenyl]pyrrolidine?
1-[(E)-2-methoxy-1-phenylethenyl]pyrrolidine has a molecular weight of 203.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-methoxy-1-phenylethenyl]pyrrolidine is sourced from PubChem (CID 15150604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).