3-phenylmethoxy-2-prop-2-enylpyrrolidine

C14H19NO — CID 12810253

IUPAC3-phenylmethoxy-2-prop-2-enylpyrrolidine
SMILESC=CCC1NCCC1OCc1ccccc1
InChIInChI=1S/C14H19NO/c1-2-6-13-14(9-10-15-13)16-11-12-7-4-3-5-8-12/h2-5,7-8,13-15H,1,6,9-11H2
InChIKeyNFPZNBKIJLLHAN-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.51
Rot. Bonds5

About 3-phenylmethoxy-2-prop-2-enylpyrrolidine

3-phenylmethoxy-2-prop-2-enylpyrrolidine (PubChem CID 12810253) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-phenylmethoxy-2-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name3-phenylmethoxy-2-prop-2-enylpyrrolidine
PubChem CID12810253
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-phenylmethoxy-2-prop-2-enylpyrrolidine
SMILESC=CCC1NCCC1OCc1ccccc1
InChIInChI=1S/C14H19NO/c1-2-6-13-14(9-10-15-13)16-11-12-7-4-3-5-8-12/h2-5,7-8,13-15H,1,6,9-11H2
InChIKeyNFPZNBKIJLLHAN-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-2-prop-2-enylpyrrolidine?
The IUPAC name of 3-phenylmethoxy-2-prop-2-enylpyrrolidine (CID 12810253) is 3-phenylmethoxy-2-prop-2-enylpyrrolidine.
What is the SMILES notation for 3-phenylmethoxy-2-prop-2-enylpyrrolidine?
The canonical SMILES for 3-phenylmethoxy-2-prop-2-enylpyrrolidine is C=CCC1NCCC1OCc1ccccc1.
What is the InChIKey of 3-phenylmethoxy-2-prop-2-enylpyrrolidine?
The InChIKey is NFPZNBKIJLLHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-6-13-14(9-10-15-13)16-11-12-7-4-3-5-8-12/h2-5,7-8,13-15H,1,6,9-11H2.
What are the key properties of 3-phenylmethoxy-2-prop-2-enylpyrrolidine?
3-phenylmethoxy-2-prop-2-enylpyrrolidine has a molecular weight of 217.31 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-2-prop-2-enylpyrrolidine is sourced from PubChem (CID 12810253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).