1-(2-but-2-en-2-yloxyethyl)pyrrolidine

C10H19NO — CID 123950135

IUPAC1-(2-but-2-en-2-yloxyethyl)pyrrolidine
SMILESCC=C(C)OCCN1CCCC1
InChIInChI=1S/C10H19NO/c1-3-10(2)12-9-8-11-6-4-5-7-11/h3H,4-9H2,1-2H3
InChIKeyRDCCDPWKSBFXIY-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.02
Rot. Bonds4

About 1-(2-but-2-en-2-yloxyethyl)pyrrolidine

1-(2-but-2-en-2-yloxyethyl)pyrrolidine (PubChem CID 123950135) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(2-but-2-en-2-yloxyethyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-but-2-en-2-yloxyethyl)pyrrolidine
PubChem CID123950135
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(2-but-2-en-2-yloxyethyl)pyrrolidine
SMILESCC=C(C)OCCN1CCCC1
InChIInChI=1S/C10H19NO/c1-3-10(2)12-9-8-11-6-4-5-7-11/h3H,4-9H2,1-2H3
InChIKeyRDCCDPWKSBFXIY-UHFFFAOYSA-N
XLogP2.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.02
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-but-2-en-2-yloxyethyl)pyrrolidine?
The IUPAC name of 1-(2-but-2-en-2-yloxyethyl)pyrrolidine (CID 123950135) is 1-(2-but-2-en-2-yloxyethyl)pyrrolidine.
What is the SMILES notation for 1-(2-but-2-en-2-yloxyethyl)pyrrolidine?
The canonical SMILES for 1-(2-but-2-en-2-yloxyethyl)pyrrolidine is CC=C(C)OCCN1CCCC1.
What is the InChIKey of 1-(2-but-2-en-2-yloxyethyl)pyrrolidine?
The InChIKey is RDCCDPWKSBFXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-10(2)12-9-8-11-6-4-5-7-11/h3H,4-9H2,1-2H3.
What are the key properties of 1-(2-but-2-en-2-yloxyethyl)pyrrolidine?
1-(2-but-2-en-2-yloxyethyl)pyrrolidine has a molecular weight of 169.27 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-2-en-2-yloxyethyl)pyrrolidine is sourced from PubChem (CID 123950135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).