1-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]imidazolidin-2-one

C11H19N3O2 — CID 80720711

IUPAC1-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNC1CC2CCC1O2
InChIInChI=1S/C11H19N3O2/c15-11-13-4-6-14(11)5-3-12-9-7-8-1-2-10(9)16-8/h8-10,12H,1-7H2,(H,13,15)
InChIKeyACTVITMXYYKMGY-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.08
Rot. Bonds4

About 1-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]imidazolidin-2-one

1-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]imidazolidin-2-one (PubChem CID 80720711) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]imidazolidin-2-one
PubChem CID80720711
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNC1CC2CCC1O2
InChIInChI=1S/C11H19N3O2/c15-11-13-4-6-14(11)5-3-12-9-7-8-1-2-10(9)16-8/h8-10,12H,1-7H2,(H,13,15)
InChIKeyACTVITMXYYKMGY-UHFFFAOYSA-N
XLogP-0.08
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]imidazolidin-2-one (CID 80720711) is 1-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]imidazolidin-2-one is O=C1NCCN1CCNC1CC2CCC1O2.
What is the InChIKey of 1-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]imidazolidin-2-one?
The InChIKey is ACTVITMXYYKMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c15-11-13-4-6-14(11)5-3-12-9-7-8-1-2-10(9)16-8/h8-10,12H,1-7H2,(H,13,15).
What are the key properties of 1-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]imidazolidin-2-one?
1-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]imidazolidin-2-one has a molecular weight of 225.29 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]imidazolidin-2-one is sourced from PubChem (CID 80720711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).