3-methoxy-4-methylidenepyrrolidine

C6H11NO — CID 142714651

IUPAC3-methoxy-4-methylidenepyrrolidine
SMILESC=C1CNCC1OC
InChIInChI=1S/C6H11NO/c1-5-3-7-4-6(5)8-2/h6-7H,1,3-4H2,2H3
InChIKeyMZGZVXJDTCHZPN-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.16
Rot. Bonds1

About 3-methoxy-4-methylidenepyrrolidine

3-methoxy-4-methylidenepyrrolidine (PubChem CID 142714651) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-methoxy-4-methylidenepyrrolidine.

Molecular Properties

Compound Name3-methoxy-4-methylidenepyrrolidine
PubChem CID142714651
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3-methoxy-4-methylidenepyrrolidine
SMILESC=C1CNCC1OC
InChIInChI=1S/C6H11NO/c1-5-3-7-4-6(5)8-2/h6-7H,1,3-4H2,2H3
InChIKeyMZGZVXJDTCHZPN-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methylidenepyrrolidine?
The IUPAC name of 3-methoxy-4-methylidenepyrrolidine (CID 142714651) is 3-methoxy-4-methylidenepyrrolidine.
What is the SMILES notation for 3-methoxy-4-methylidenepyrrolidine?
The canonical SMILES for 3-methoxy-4-methylidenepyrrolidine is C=C1CNCC1OC.
What is the InChIKey of 3-methoxy-4-methylidenepyrrolidine?
The InChIKey is MZGZVXJDTCHZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-3-7-4-6(5)8-2/h6-7H,1,3-4H2,2H3.
What are the key properties of 3-methoxy-4-methylidenepyrrolidine?
3-methoxy-4-methylidenepyrrolidine has a molecular weight of 113.16 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methylidenepyrrolidine is sourced from PubChem (CID 142714651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).