1-(1-phenylmethoxyethenyl)pyrrolidine

C13H17NO — CID 142875248

IUPAC1-(1-phenylmethoxyethenyl)pyrrolidine
SMILESC=C(OCc1ccccc1)N1CCCC1
InChIInChI=1S/C13H17NO/c1-12(14-9-5-6-10-14)15-11-13-7-3-2-4-8-13/h2-4,7-8H,1,5-6,9-11H2
InChIKeyJTERLFCJKAMNHK-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.77
Rot. Bonds4

About 1-(1-phenylmethoxyethenyl)pyrrolidine

1-(1-phenylmethoxyethenyl)pyrrolidine (PubChem CID 142875248) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-(1-phenylmethoxyethenyl)pyrrolidine.

Molecular Properties

Compound Name1-(1-phenylmethoxyethenyl)pyrrolidine
PubChem CID142875248
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-(1-phenylmethoxyethenyl)pyrrolidine
SMILESC=C(OCc1ccccc1)N1CCCC1
InChIInChI=1S/C13H17NO/c1-12(14-9-5-6-10-14)15-11-13-7-3-2-4-8-13/h2-4,7-8H,1,5-6,9-11H2
InChIKeyJTERLFCJKAMNHK-UHFFFAOYSA-N
XLogP2.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.77
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

benzyl piperidine-1-carboxylate
CID 158057698
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
N-phenylmethoxyazepane-1-carboxamide
CID 112689523
benzyl N-piperidin-1-ylcarbamate
CID 3770567
benzyl 3-fluoro-4-hydroxyazocane-1-carboxylate
CID 122547417
benzyl (4R)-4-pyrrolidin-1-ylazepane-1-carboxylate
CID 71192780
benzyl piperidine-1-carboxylate;1-bromo-2-fluorobenzene
CID 143436152
benzyl (3S)-3-acetylpiperidine-1-carboxylate
CID 86330253
benzyl 4-(2-aminoacetyl)azepane-1-carboxylate
CID 115006849
benzyl 3-methoxy-3-methylpiperidine-1-carboxylate
CID 130477377
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylmethoxyethenyl)pyrrolidine?
The IUPAC name of 1-(1-phenylmethoxyethenyl)pyrrolidine (CID 142875248) is 1-(1-phenylmethoxyethenyl)pyrrolidine.
What is the SMILES notation for 1-(1-phenylmethoxyethenyl)pyrrolidine?
The canonical SMILES for 1-(1-phenylmethoxyethenyl)pyrrolidine is C=C(OCc1ccccc1)N1CCCC1.
What is the InChIKey of 1-(1-phenylmethoxyethenyl)pyrrolidine?
The InChIKey is JTERLFCJKAMNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-12(14-9-5-6-10-14)15-11-13-7-3-2-4-8-13/h2-4,7-8H,1,5-6,9-11H2.
What are the key properties of 1-(1-phenylmethoxyethenyl)pyrrolidine?
1-(1-phenylmethoxyethenyl)pyrrolidine has a molecular weight of 203.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylmethoxyethenyl)pyrrolidine is sourced from PubChem (CID 142875248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).