2-(phenylmethoxymethyl)pyrrolidine

C12H17NO — CID 4715279

IUPAC2-(phenylmethoxymethyl)pyrrolidine
SMILESc1ccc(COCC2CCCN2)cc1
InChIInChI=1S/C12H17NO/c1-2-5-11(6-3-1)9-14-10-12-7-4-8-13-12/h1-3,5-6,12-13H,4,7-10H2
InChIKeyWZWVGKAJVSLHAE-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.96
Rot. Bonds4

About 2-(phenylmethoxymethyl)pyrrolidine

2-(phenylmethoxymethyl)pyrrolidine (PubChem CID 4715279) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(phenylmethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name2-(phenylmethoxymethyl)pyrrolidine
PubChem CID4715279
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(phenylmethoxymethyl)pyrrolidine
SMILESc1ccc(COCC2CCCN2)cc1
InChIInChI=1S/C12H17NO/c1-2-5-11(6-3-1)9-14-10-12-7-4-8-13-12/h1-3,5-6,12-13H,4,7-10H2
InChIKeyWZWVGKAJVSLHAE-UHFFFAOYSA-N
XLogP1.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(phenylmethoxymethyl)pyrrolidine?
The IUPAC name of 2-(phenylmethoxymethyl)pyrrolidine (CID 4715279) is 2-(phenylmethoxymethyl)pyrrolidine.
What is the SMILES notation for 2-(phenylmethoxymethyl)pyrrolidine?
The canonical SMILES for 2-(phenylmethoxymethyl)pyrrolidine is c1ccc(COCC2CCCN2)cc1.
What is the InChIKey of 2-(phenylmethoxymethyl)pyrrolidine?
The InChIKey is WZWVGKAJVSLHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-5-11(6-3-1)9-14-10-12-7-4-8-13-12/h1-3,5-6,12-13H,4,7-10H2.
What are the key properties of 2-(phenylmethoxymethyl)pyrrolidine?
2-(phenylmethoxymethyl)pyrrolidine has a molecular weight of 191.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylmethoxymethyl)pyrrolidine is sourced from PubChem (CID 4715279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).