(2S)-2-(methoxymethyl)pyrrolidine

C6H13NO — CID 671217

IUPAC(2S)-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1CCCN1
InChIInChI=1S/C6H13NO/c1-8-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3/t6-/m0/s1
InChIKeyCHPRFKYDQRKRRK-LURJTMIESA-N
MW115.18 g/mol
LogP0.38
Rot. Bonds2

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

(2S)-2-(methoxymethyl)pyrrolidine (PubChem CID 671217) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)pyrrolidine
PubChem CID671217
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(2S)-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1CCCN1
InChIInChI=1S/C6H13NO/c1-8-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3/t6-/m0/s1
InChIKeyCHPRFKYDQRKRRK-LURJTMIESA-N
XLogP0.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

L-Prolinol
CID 640091
Prolinol, (R)-
CID 2724541
Prolinol
CID 90908
2-(Methoxymethyl)pyrrolidine
CID 143953
N-Ethyltetrahydrofurfurylamine
CID 98295
Isopropyl-(tetrahydro-furan-2-ylmethyl)-amine
CID 263171
(2R)-2-(Methoxymethyl)pyrrolidine
CID 671216
(R,R)-(-)-2,5-Bis(methoxymethyl)pyrrolidine
CID 2724974
(S,S)-(+)-2,5-Bis(methoxymethyl)pyrrolidine
CID 7019262
(2R)-2-(methoxymethyl)pyrrolidine hydrochloride
CID 71642899
(2S)-2-(methoxymethyl)pyrrolidine hydrochloride
CID 71741490
2-(Methoxymethyl)pyrrolidine hydrochloride
CID 71755371

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)pyrrolidine?
The IUPAC name of (2S)-2-(methoxymethyl)pyrrolidine (CID 671217) is (2S)-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(methoxymethyl)pyrrolidine is COC[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(methoxymethyl)pyrrolidine?
The InChIKey is CHPRFKYDQRKRRK-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO/c1-8-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)pyrrolidine?
(2S)-2-(methoxymethyl)pyrrolidine has a molecular weight of 115.18 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 671217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).