(2E)-2-(methoxymethylidene)-1-methylpyrrolidine

C7H13NO — CID 89269581

IUPAC(2E)-2-(methoxymethylidene)-1-methylpyrrolidine
SMILESCO/C=C1\CCCN1C
InChIInChI=1S/C7H13NO/c1-8-5-3-4-7(8)6-9-2/h6H,3-5H2,1-2H3/b7-6+
InChIKeyNBGNOSRGAZYVSX-VOTSOKGWSA-N
MW127.19 g/mol
LogP1.20
Rot. Bonds1

About (2E)-2-(methoxymethylidene)-1-methylpyrrolidine

(2E)-2-(methoxymethylidene)-1-methylpyrrolidine (PubChem CID 89269581) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2E)-2-(methoxymethylidene)-1-methylpyrrolidine.

Molecular Properties

Compound Name(2E)-2-(methoxymethylidene)-1-methylpyrrolidine
PubChem CID89269581
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2E)-2-(methoxymethylidene)-1-methylpyrrolidine
SMILESCO/C=C1\CCCN1C
InChIInChI=1S/C7H13NO/c1-8-5-3-4-7(8)6-9-2/h6H,3-5H2,1-2H3/b7-6+
InChIKeyNBGNOSRGAZYVSX-VOTSOKGWSA-N
XLogP1.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(methoxymethylidene)-1-methylpyrrolidine?
The IUPAC name of (2E)-2-(methoxymethylidene)-1-methylpyrrolidine (CID 89269581) is (2E)-2-(methoxymethylidene)-1-methylpyrrolidine.
What is the SMILES notation for (2E)-2-(methoxymethylidene)-1-methylpyrrolidine?
The canonical SMILES for (2E)-2-(methoxymethylidene)-1-methylpyrrolidine is CO/C=C1\CCCN1C.
What is the InChIKey of (2E)-2-(methoxymethylidene)-1-methylpyrrolidine?
The InChIKey is NBGNOSRGAZYVSX-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-5-3-4-7(8)6-9-2/h6H,3-5H2,1-2H3/b7-6+.
What are the key properties of (2E)-2-(methoxymethylidene)-1-methylpyrrolidine?
(2E)-2-(methoxymethylidene)-1-methylpyrrolidine has a molecular weight of 127.19 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(methoxymethylidene)-1-methylpyrrolidine is sourced from PubChem (CID 89269581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).