3-(phenylmethoxymethyl)pyrrolidine

C12H17NO — CID 45075570

IUPAC3-(phenylmethoxymethyl)pyrrolidine
SMILESc1ccc(COCC2CCNC2)cc1
InChIInChI=1S/C12H17NO/c1-2-4-11(5-3-1)9-14-10-12-6-7-13-8-12/h1-5,12-13H,6-10H2
InChIKeyRFOAPIACLKWTAY-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.81
Rot. Bonds4

About 3-(phenylmethoxymethyl)pyrrolidine

3-(phenylmethoxymethyl)pyrrolidine (PubChem CID 45075570) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(phenylmethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name3-(phenylmethoxymethyl)pyrrolidine
PubChem CID45075570
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(phenylmethoxymethyl)pyrrolidine
SMILESc1ccc(COCC2CCNC2)cc1
InChIInChI=1S/C12H17NO/c1-2-4-11(5-3-1)9-14-10-12-6-7-13-8-12/h1-5,12-13H,6-10H2
InChIKeyRFOAPIACLKWTAY-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(phenylmethoxymethyl)pyrrolidine?
The IUPAC name of 3-(phenylmethoxymethyl)pyrrolidine (CID 45075570) is 3-(phenylmethoxymethyl)pyrrolidine.
What is the SMILES notation for 3-(phenylmethoxymethyl)pyrrolidine?
The canonical SMILES for 3-(phenylmethoxymethyl)pyrrolidine is c1ccc(COCC2CCNC2)cc1.
What is the InChIKey of 3-(phenylmethoxymethyl)pyrrolidine?
The InChIKey is RFOAPIACLKWTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-4-11(5-3-1)9-14-10-12-6-7-13-8-12/h1-5,12-13H,6-10H2.
What are the key properties of 3-(phenylmethoxymethyl)pyrrolidine?
3-(phenylmethoxymethyl)pyrrolidine has a molecular weight of 191.27 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylmethoxymethyl)pyrrolidine is sourced from PubChem (CID 45075570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).