(2S)-2-(phenylmethoxymethyl)pyrrolidine

C12H17NO — CID 7141630

IUPAC(2S)-2-(phenylmethoxymethyl)pyrrolidine
SMILESc1ccc(COC[C@@H]2CCCN2)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/t12-/m0/s1
InChIKeyWZWVGKAJVSLHAE-LBPRGKRZSA-N
MW191.27 g/mol
LogP1.96
Rot. Bonds4

About (2S)-2-(phenylmethoxymethyl)pyrrolidine

(2S)-2-(phenylmethoxymethyl)pyrrolidine (PubChem CID 7141630) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S)-2-(phenylmethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(phenylmethoxymethyl)pyrrolidine
PubChem CID7141630
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2S)-2-(phenylmethoxymethyl)pyrrolidine
SMILESc1ccc(COC[C@@H]2CCCN2)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/t12-/m0/s1
InChIKeyWZWVGKAJVSLHAE-LBPRGKRZSA-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 (2S)-2-(phenylmethoxymethyl)pyrrolidine?
The IUPAC name of (2S)-2-(phenylmethoxymethyl)pyrrolidine (CID 7141630) is (2S)-2-(phenylmethoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(phenylmethoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(phenylmethoxymethyl)pyrrolidine is c1ccc(COC[C@@H]2CCCN2)cc1.
What is the InChIKey of (2S)-2-(phenylmethoxymethyl)pyrrolidine?
The InChIKey is WZWVGKAJVSLHAE-LBPRGKRZSA-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/t12-/m0/s1.
What are the key properties of (2S)-2-(phenylmethoxymethyl)pyrrolidine?
(2S)-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 (2S)-2-(phenylmethoxymethyl)pyrrolidine is sourced from PubChem (CID 7141630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).