2-(methoxymethylidene)pyrrolidine

C6H11NO — CID 70198487

IUPAC2-(methoxymethylidene)pyrrolidine
SMILESCOC=C1CCCN1
InChIInChI=1S/C6H11NO/c1-8-5-6-3-2-4-7-6/h5,7H,2-4H2,1H3
InChIKeyCTDJBPPZQRNZJC-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.86
Rot. Bonds1

About 2-(methoxymethylidene)pyrrolidine

2-(methoxymethylidene)pyrrolidine (PubChem CID 70198487) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-(methoxymethylidene)pyrrolidine.

Molecular Properties

Compound Name2-(methoxymethylidene)pyrrolidine
PubChem CID70198487
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-(methoxymethylidene)pyrrolidine
SMILESCOC=C1CCCN1
InChIInChI=1S/C6H11NO/c1-8-5-6-3-2-4-7-6/h5,7H,2-4H2,1H3
InChIKeyCTDJBPPZQRNZJC-UHFFFAOYSA-N
XLogP0.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-Propyl-2,3-dihydro-1,3-oxazole
CID 19964467
4-Ethyl-2,3-dihydro-1,3-oxazole
CID 21274303
[(E)-pyrrolidin-2-ylidenemethyl] acetate
CID 55300024
(Z)-pyrrolidin-2-ylidenemethanol
CID 55300390
(2Z)-2-(methoxymethylidene)pyrrolidine
CID 70198486
Pyrrolidin-2-ylidenemethanol
CID 76225523
(2E)-2-(methoxymethylidene)-1-methylpyrrolidine
CID 89269581
(2E)-1-ethyl-2-(methoxymethylidene)pyrrolidine
CID 121285132
(2E)-2-(propan-2-yloxymethylidene)pyrrolidine
CID 148117999
2-Methyl-4-propan-2-yl-2,3-dihydro-1,3-oxazole
CID 153076464
(2Z)-2-[chloro(methoxy)methylidene]pyrrolidine
CID 156257908
2,4-Diethyl-2,3-dihydro-1,3-oxazole
CID 163543968

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethylidene)pyrrolidine?
The IUPAC name of 2-(methoxymethylidene)pyrrolidine (CID 70198487) is 2-(methoxymethylidene)pyrrolidine.
What is the SMILES notation for 2-(methoxymethylidene)pyrrolidine?
The canonical SMILES for 2-(methoxymethylidene)pyrrolidine is COC=C1CCCN1.
What is the InChIKey of 2-(methoxymethylidene)pyrrolidine?
The InChIKey is CTDJBPPZQRNZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-8-5-6-3-2-4-7-6/h5,7H,2-4H2,1H3.
What are the key properties of 2-(methoxymethylidene)pyrrolidine?
2-(methoxymethylidene)pyrrolidine has a molecular weight of 113.16 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethylidene)pyrrolidine is sourced from PubChem (CID 70198487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).