1-[2-[(E)-pent-2-en-3-yl]oxyethyl]pyrrolidine

C11H21NO — CID 143464234

IUPAC1-[2-[(E)-pent-2-en-3-yl]oxyethyl]pyrrolidine
SMILESC/C=C(\CC)OCCN1CCCC1
InChIInChI=1S/C11H21NO/c1-3-11(4-2)13-10-9-12-7-5-6-8-12/h3H,4-10H2,1-2H3/b11-3+
InChIKeyJIKVZGZOUHGHAZ-QDEBKDIKSA-N
MW183.29 g/mol
LogP2.41
Rot. Bonds5

About 1-[2-[(E)-pent-2-en-3-yl]oxyethyl]pyrrolidine

1-[2-[(E)-pent-2-en-3-yl]oxyethyl]pyrrolidine (PubChem CID 143464234) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-[2-[(E)-pent-2-en-3-yl]oxyethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[(E)-pent-2-en-3-yl]oxyethyl]pyrrolidine
PubChem CID143464234
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-[2-[(E)-pent-2-en-3-yl]oxyethyl]pyrrolidine
SMILESC/C=C(\CC)OCCN1CCCC1
InChIInChI=1S/C11H21NO/c1-3-11(4-2)13-10-9-12-7-5-6-8-12/h3H,4-10H2,1-2H3/b11-3+
InChIKeyJIKVZGZOUHGHAZ-QDEBKDIKSA-N
XLogP2.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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 1-[2-[(E)-pent-2-en-3-yl]oxyethyl]pyrrolidine?
The IUPAC name of 1-[2-[(E)-pent-2-en-3-yl]oxyethyl]pyrrolidine (CID 143464234) is 1-[2-[(E)-pent-2-en-3-yl]oxyethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[(E)-pent-2-en-3-yl]oxyethyl]pyrrolidine?
The canonical SMILES for 1-[2-[(E)-pent-2-en-3-yl]oxyethyl]pyrrolidine is C/C=C(\CC)OCCN1CCCC1.
What is the InChIKey of 1-[2-[(E)-pent-2-en-3-yl]oxyethyl]pyrrolidine?
The InChIKey is JIKVZGZOUHGHAZ-QDEBKDIKSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-11(4-2)13-10-9-12-7-5-6-8-12/h3H,4-10H2,1-2H3/b11-3+.
What are the key properties of 1-[2-[(E)-pent-2-en-3-yl]oxyethyl]pyrrolidine?
1-[2-[(E)-pent-2-en-3-yl]oxyethyl]pyrrolidine has a molecular weight of 183.29 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-pent-2-en-3-yl]oxyethyl]pyrrolidine is sourced from PubChem (CID 143464234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).