4-methoxy-1-methyl-2-prop-1-enylpyrrolidine

C9H17NO — CID 59936400

IUPAC4-methoxy-1-methyl-2-prop-1-enylpyrrolidine
SMILESCC=CC1CC(OC)CN1C
InChIInChI=1S/C9H17NO/c1-4-5-8-6-9(11-3)7-10(8)2/h4-5,8-9H,6-7H2,1-3H3
InChIKeyBGBPJMIMFKITPM-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.28
Rot. Bonds2

About 4-methoxy-1-methyl-2-prop-1-enylpyrrolidine

4-methoxy-1-methyl-2-prop-1-enylpyrrolidine (PubChem CID 59936400) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-methoxy-1-methyl-2-prop-1-enylpyrrolidine.

Molecular Properties

Compound Name4-methoxy-1-methyl-2-prop-1-enylpyrrolidine
PubChem CID59936400
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-methoxy-1-methyl-2-prop-1-enylpyrrolidine
SMILESCC=CC1CC(OC)CN1C
InChIInChI=1S/C9H17NO/c1-4-5-8-6-9(11-3)7-10(8)2/h4-5,8-9H,6-7H2,1-3H3
InChIKeyBGBPJMIMFKITPM-UHFFFAOYSA-N
XLogP1.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.28
H-Bond Donors ≤ 50
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 4-methoxy-1-methyl-2-prop-1-enylpyrrolidine?
The IUPAC name of 4-methoxy-1-methyl-2-prop-1-enylpyrrolidine (CID 59936400) is 4-methoxy-1-methyl-2-prop-1-enylpyrrolidine.
What is the SMILES notation for 4-methoxy-1-methyl-2-prop-1-enylpyrrolidine?
The canonical SMILES for 4-methoxy-1-methyl-2-prop-1-enylpyrrolidine is CC=CC1CC(OC)CN1C.
What is the InChIKey of 4-methoxy-1-methyl-2-prop-1-enylpyrrolidine?
The InChIKey is BGBPJMIMFKITPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-5-8-6-9(11-3)7-10(8)2/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 4-methoxy-1-methyl-2-prop-1-enylpyrrolidine?
4-methoxy-1-methyl-2-prop-1-enylpyrrolidine has a molecular weight of 155.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-2-prop-1-enylpyrrolidine is sourced from PubChem (CID 59936400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).