(2S)-2-(methoxymethyl)-1-methyl-5-methylidenepyrrolidine

C8H15NO — CID 89289161

IUPAC(2S)-2-(methoxymethyl)-1-methyl-5-methylidenepyrrolidine
SMILESC=C1CC[C@@H](COC)N1C
InChIInChI=1S/C8H15NO/c1-7-4-5-8(6-10-3)9(7)2/h8H,1,4-6H2,2-3H3/t8-/m0/s1
InChIKeyCRBVQTGKOKUNPL-QMMMGPOBSA-N
MW141.21 g/mol
LogP1.24
Rot. Bonds2

About (2S)-2-(methoxymethyl)-1-methyl-5-methylidenepyrrolidine

(2S)-2-(methoxymethyl)-1-methyl-5-methylidenepyrrolidine (PubChem CID 89289161) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-1-methyl-5-methylidenepyrrolidine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-1-methyl-5-methylidenepyrrolidine
PubChem CID89289161
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2S)-2-(methoxymethyl)-1-methyl-5-methylidenepyrrolidine
SMILESC=C1CC[C@@H](COC)N1C
InChIInChI=1S/C8H15NO/c1-7-4-5-8(6-10-3)9(7)2/h8H,1,4-6H2,2-3H3/t8-/m0/s1
InChIKeyCRBVQTGKOKUNPL-QMMMGPOBSA-N
XLogP1.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-1-methyl-5-methylidenepyrrolidine?
The IUPAC name of (2S)-2-(methoxymethyl)-1-methyl-5-methylidenepyrrolidine (CID 89289161) is (2S)-2-(methoxymethyl)-1-methyl-5-methylidenepyrrolidine.
What is the SMILES notation for (2S)-2-(methoxymethyl)-1-methyl-5-methylidenepyrrolidine?
The canonical SMILES for (2S)-2-(methoxymethyl)-1-methyl-5-methylidenepyrrolidine is C=C1CC[C@@H](COC)N1C.
What is the InChIKey of (2S)-2-(methoxymethyl)-1-methyl-5-methylidenepyrrolidine?
The InChIKey is CRBVQTGKOKUNPL-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO/c1-7-4-5-8(6-10-3)9(7)2/h8H,1,4-6H2,2-3H3/t8-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)-1-methyl-5-methylidenepyrrolidine?
(2S)-2-(methoxymethyl)-1-methyl-5-methylidenepyrrolidine has a molecular weight of 141.21 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)-1-methyl-5-methylidenepyrrolidine is sourced from PubChem (CID 89289161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).