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

C13H25N3 — CID 18547162

IUPAC1-[(Z)-2-(1-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine
SMILESC/C=C(/CN1CCNC1)C(C)N1CCCC1
InChIInChI=1S/C13H25N3/c1-3-13(10-15-9-6-14-11-15)12(2)16-7-4-5-8-16/h3,12,14H,4-11H2,1-2H3/b13-3-
InChIKeyDVFUSCVHBBXWHP-DXNYSGJVSA-N
MW223.36 g/mol
LogP1.28
Rot. Bonds4

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

1-[(Z)-2-(1-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine (PubChem CID 18547162) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[(Z)-2-(1-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine.

Molecular Properties

Compound Name1-[(Z)-2-(1-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine
PubChem CID18547162
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-[(Z)-2-(1-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine
SMILESC/C=C(/CN1CCNC1)C(C)N1CCCC1
InChIInChI=1S/C13H25N3/c1-3-13(10-15-9-6-14-11-15)12(2)16-7-4-5-8-16/h3,12,14H,4-11H2,1-2H3/b13-3-
InChIKeyDVFUSCVHBBXWHP-DXNYSGJVSA-N
XLogP1.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
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 1-[(Z)-2-(1-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine?
The IUPAC name of 1-[(Z)-2-(1-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine (CID 18547162) is 1-[(Z)-2-(1-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine.
What is the SMILES notation for 1-[(Z)-2-(1-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine?
The canonical SMILES for 1-[(Z)-2-(1-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine is C/C=C(/CN1CCNC1)C(C)N1CCCC1.
What is the InChIKey of 1-[(Z)-2-(1-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine?
The InChIKey is DVFUSCVHBBXWHP-DXNYSGJVSA-N. The full InChI is InChI=1S/C13H25N3/c1-3-13(10-15-9-6-14-11-15)12(2)16-7-4-5-8-16/h3,12,14H,4-11H2,1-2H3/b13-3-.
What are the key properties of 1-[(Z)-2-(1-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine?
1-[(Z)-2-(1-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine has a molecular weight of 223.36 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(1-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine is sourced from PubChem (CID 18547162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).