2-(1-ethoxyethenyl)-1-propan-2-ylpyrrolidine

C11H21NO — CID 118501499

IUPAC2-(1-ethoxyethenyl)-1-propan-2-ylpyrrolidine
SMILESC=C(OCC)C1CCCN1C(C)C
InChIInChI=1S/C11H21NO/c1-5-13-10(4)11-7-6-8-12(11)9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyMXFQDSMETWRTJO-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.41
Rot. Bonds4

About 2-(1-ethoxyethenyl)-1-propan-2-ylpyrrolidine

2-(1-ethoxyethenyl)-1-propan-2-ylpyrrolidine (PubChem CID 118501499) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(1-ethoxyethenyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-(1-ethoxyethenyl)-1-propan-2-ylpyrrolidine
PubChem CID118501499
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(1-ethoxyethenyl)-1-propan-2-ylpyrrolidine
SMILESC=C(OCC)C1CCCN1C(C)C
InChIInChI=1S/C11H21NO/c1-5-13-10(4)11-7-6-8-12(11)9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyMXFQDSMETWRTJO-UHFFFAOYSA-N
XLogP2.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.41
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 2-(1-ethoxyethenyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of 2-(1-ethoxyethenyl)-1-propan-2-ylpyrrolidine (CID 118501499) is 2-(1-ethoxyethenyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-(1-ethoxyethenyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for 2-(1-ethoxyethenyl)-1-propan-2-ylpyrrolidine is C=C(OCC)C1CCCN1C(C)C.
What is the InChIKey of 2-(1-ethoxyethenyl)-1-propan-2-ylpyrrolidine?
The InChIKey is MXFQDSMETWRTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-13-10(4)11-7-6-8-12(11)9(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-(1-ethoxyethenyl)-1-propan-2-ylpyrrolidine?
2-(1-ethoxyethenyl)-1-propan-2-ylpyrrolidine has a molecular weight of 183.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethenyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 118501499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).