2-[(Z)-2-(2-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine

C13H25N3 — CID 70025048

IUPAC2-[(Z)-2-(2-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine
SMILESC/C=C(/CCN1CCCC1)CC1NCCN1
InChIInChI=1S/C13H25N3/c1-2-12(11-13-14-6-7-15-13)5-10-16-8-3-4-9-16/h2,13-15H,3-11H2,1H3/b12-2-
InChIKeyHDLKGGZSJXJWPX-OIXVIMQBSA-N
MW223.36 g/mol
LogP1.33
Rot. Bonds5

About 2-[(Z)-2-(2-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine

2-[(Z)-2-(2-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine (PubChem CID 70025048) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[(Z)-2-(2-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine.

Molecular Properties

Compound Name2-[(Z)-2-(2-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine
PubChem CID70025048
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-[(Z)-2-(2-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine
SMILESC/C=C(/CCN1CCCC1)CC1NCCN1
InChIInChI=1S/C13H25N3/c1-2-12(11-13-14-6-7-15-13)5-10-16-8-3-4-9-16/h2,13-15H,3-11H2,1H3/b12-2-
InChIKeyHDLKGGZSJXJWPX-OIXVIMQBSA-N
XLogP1.33
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[(Z)-2-(2-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine?
The IUPAC name of 2-[(Z)-2-(2-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine (CID 70025048) is 2-[(Z)-2-(2-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine.
What is the SMILES notation for 2-[(Z)-2-(2-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine?
The canonical SMILES for 2-[(Z)-2-(2-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine is C/C=C(/CCN1CCCC1)CC1NCCN1.
What is the InChIKey of 2-[(Z)-2-(2-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine?
The InChIKey is HDLKGGZSJXJWPX-OIXVIMQBSA-N. The full InChI is InChI=1S/C13H25N3/c1-2-12(11-13-14-6-7-15-13)5-10-16-8-3-4-9-16/h2,13-15H,3-11H2,1H3/b12-2-.
What are the key properties of 2-[(Z)-2-(2-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine?
2-[(Z)-2-(2-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine has a molecular weight of 223.36 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(2-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine is sourced from PubChem (CID 70025048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).