(2S)-1-benzyl-2-(methoxymethyl)pyrrolidine

C13H19NO — CID 59165761

IUPAC(2S)-1-benzyl-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-15-11-13-8-5-9-14(13)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3/t13-/m0/s1
InChIKeyMDMSCTSKOUOHJK-ZDUSSCGKSA-N
MW205.30 g/mol
LogP2.30
Rot. Bonds4

About (2S)-1-benzyl-2-(methoxymethyl)pyrrolidine

(2S)-1-benzyl-2-(methoxymethyl)pyrrolidine (PubChem CID 59165761) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2S)-1-benzyl-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-benzyl-2-(methoxymethyl)pyrrolidine
PubChem CID59165761
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2S)-1-benzyl-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-15-11-13-8-5-9-14(13)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3/t13-/m0/s1
InChIKeyMDMSCTSKOUOHJK-ZDUSSCGKSA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-2-(methoxymethyl)pyrrolidine?
The IUPAC name of (2S)-1-benzyl-2-(methoxymethyl)pyrrolidine (CID 59165761) is (2S)-1-benzyl-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-benzyl-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-1-benzyl-2-(methoxymethyl)pyrrolidine is COC[C@@H]1CCCN1Cc1ccccc1.
What is the InChIKey of (2S)-1-benzyl-2-(methoxymethyl)pyrrolidine?
The InChIKey is MDMSCTSKOUOHJK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19NO/c1-15-11-13-8-5-9-14(13)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-benzyl-2-(methoxymethyl)pyrrolidine?
(2S)-1-benzyl-2-(methoxymethyl)pyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 59165761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).