1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidin-2-one

C10H16FN3O — CID 126777958

IUPAC1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCC=C(F)C1
InChIInChI=1S/C10H16FN3O/c11-9-2-1-4-13(8-9)6-7-14-5-3-12-10(14)15/h2H,1,3-8H2,(H,12,15)
InChIKeyWFJSCBPYDUCBKK-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.57
Rot. Bonds3

About 1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidin-2-one

1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidin-2-one (PubChem CID 126777958) has the molecular formula C10H16FN3O and a molecular weight of 213.26 g/mol. Its IUPAC name is 1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidin-2-one
PubChem CID126777958
Molecular FormulaC10H16FN3O
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC Name1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCC=C(F)C1
InChIInChI=1S/C10H16FN3O/c11-9-2-1-4-13(8-9)6-7-14-5-3-12-10(14)15/h2H,1,3-8H2,(H,12,15)
InChIKeyWFJSCBPYDUCBKK-UHFFFAOYSA-N
XLogP0.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidin-2-one (CID 126777958) is 1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidin-2-one is O=C1NCCN1CCN1CCC=C(F)C1.
What is the InChIKey of 1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidin-2-one?
The InChIKey is WFJSCBPYDUCBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O/c11-9-2-1-4-13(8-9)6-7-14-5-3-12-10(14)15/h2H,1,3-8H2,(H,12,15).
What are the key properties of 1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidin-2-one?
1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidin-2-one has a molecular weight of 213.26 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 126777958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).