2-(methoxymethyl)-4-methylidenepyrrolidine

C7H13NO — CID 176568186

IUPAC2-(methoxymethyl)-4-methylidenepyrrolidine
SMILESC=C1CNC(COC)C1
InChIInChI=1S/C7H13NO/c1-6-3-7(5-9-2)8-4-6/h7-8H,1,3-5H2,2H3
InChIKeyCPOKGOCOESHOBY-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.55
Rot. Bonds2

About 2-(methoxymethyl)-4-methylidenepyrrolidine

2-(methoxymethyl)-4-methylidenepyrrolidine (PubChem CID 176568186) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-methylidenepyrrolidine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-methylidenepyrrolidine
PubChem CID176568186
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-(methoxymethyl)-4-methylidenepyrrolidine
SMILESC=C1CNC(COC)C1
InChIInChI=1S/C7H13NO/c1-6-3-7(5-9-2)8-4-6/h7-8H,1,3-5H2,2H3
InChIKeyCPOKGOCOESHOBY-UHFFFAOYSA-N
XLogP0.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-(difluoromethylidene)-2-(methoxymethyl)pyrrolidine
CID 156243083
[2-(Methoxymethyl)pyrrolidin-3-ylidene]methanone
CID 21750003
(4-Methylidenepyrrolidin-2-yl)methanol
CID 22046683
[(2R)-4-methylidenepyrrolidin-2-yl]methanol;hydrochloride
CID 55287071
[(2R)-4-methylidenepyrrolidin-2-yl]methanol
CID 55287072
[(2S)-4-methylidenepyrrolidin-2-yl]methanol
CID 55287073
[(2S)-4-methylidenepyrrolidin-2-yl]methanol;hydrochloride
CID 68410746
(4-Methylidenepyrrolidin-2-yl)methanol;hydrochloride
CID 68410748
2-(1-Methoxyethenyl)pyrrolidine
CID 91128615
[(2S)-4-methylidenepyrrolidin-2-yl]methyl acetate
CID 118994793
(2S)-2-(1-ethoxyethenyl)pyrrolidine
CID 126635209
(4Z)-4-ethylidene-2-(methoxymethyl)pyrrolidine
CID 139397543

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-methylidenepyrrolidine?
The IUPAC name of 2-(methoxymethyl)-4-methylidenepyrrolidine (CID 176568186) is 2-(methoxymethyl)-4-methylidenepyrrolidine.
What is the SMILES notation for 2-(methoxymethyl)-4-methylidenepyrrolidine?
The canonical SMILES for 2-(methoxymethyl)-4-methylidenepyrrolidine is C=C1CNC(COC)C1.
What is the InChIKey of 2-(methoxymethyl)-4-methylidenepyrrolidine?
The InChIKey is CPOKGOCOESHOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-3-7(5-9-2)8-4-6/h7-8H,1,3-5H2,2H3.
What are the key properties of 2-(methoxymethyl)-4-methylidenepyrrolidine?
2-(methoxymethyl)-4-methylidenepyrrolidine has a molecular weight of 127.19 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-methylidenepyrrolidine is sourced from PubChem (CID 176568186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).