1-(4-pyrrolidin-1-ylbut-2-ynyl)imidazolidin-2-one

C11H17N3O — CID 15669677

IUPAC1-(4-pyrrolidin-1-ylbut-2-ynyl)imidazolidin-2-one
SMILESO=C1NCCN1CC#CCN1CCCC1
InChIInChI=1S/C11H17N3O/c15-11-12-5-10-14(11)9-4-3-8-13-6-1-2-7-13/h1-2,5-10H2,(H,12,15)
InChIKeyNNQOKFWDPAVGRK-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.11
Rot. Bonds2

About 1-(4-pyrrolidin-1-ylbut-2-ynyl)imidazolidin-2-one

1-(4-pyrrolidin-1-ylbut-2-ynyl)imidazolidin-2-one (PubChem CID 15669677) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(4-pyrrolidin-1-ylbut-2-ynyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-pyrrolidin-1-ylbut-2-ynyl)imidazolidin-2-one
PubChem CID15669677
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(4-pyrrolidin-1-ylbut-2-ynyl)imidazolidin-2-one
SMILESO=C1NCCN1CC#CCN1CCCC1
InChIInChI=1S/C11H17N3O/c15-11-12-5-10-14(11)9-4-3-8-13-6-1-2-7-13/h1-2,5-10H2,(H,12,15)
InChIKeyNNQOKFWDPAVGRK-UHFFFAOYSA-N
XLogP0.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrrolidin-1-ylbut-2-ynyl)imidazolidin-2-one?
The IUPAC name of 1-(4-pyrrolidin-1-ylbut-2-ynyl)imidazolidin-2-one (CID 15669677) is 1-(4-pyrrolidin-1-ylbut-2-ynyl)imidazolidin-2-one.
What is the SMILES notation for 1-(4-pyrrolidin-1-ylbut-2-ynyl)imidazolidin-2-one?
The canonical SMILES for 1-(4-pyrrolidin-1-ylbut-2-ynyl)imidazolidin-2-one is O=C1NCCN1CC#CCN1CCCC1.
What is the InChIKey of 1-(4-pyrrolidin-1-ylbut-2-ynyl)imidazolidin-2-one?
The InChIKey is NNQOKFWDPAVGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c15-11-12-5-10-14(11)9-4-3-8-13-6-1-2-7-13/h1-2,5-10H2,(H,12,15).
What are the key properties of 1-(4-pyrrolidin-1-ylbut-2-ynyl)imidazolidin-2-one?
1-(4-pyrrolidin-1-ylbut-2-ynyl)imidazolidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrrolidin-1-ylbut-2-ynyl)imidazolidin-2-one is sourced from PubChem (CID 15669677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).