1-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)imidazolidin-2-one

C12H19N3O3 — CID 122255495

IUPAC1-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)imidazolidin-2-one
SMILESCOC1CC2CCC(C1)N2C(=O)N1CCNC1=O
InChIInChI=1S/C12H19N3O3/c1-18-10-6-8-2-3-9(7-10)15(8)12(17)14-5-4-13-11(14)16/h8-10H,2-7H2,1H3,(H,13,16)
InChIKeyPEWNQJBOCMDBLM-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.77
Rot. Bonds1

About 1-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)imidazolidin-2-one

1-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)imidazolidin-2-one (PubChem CID 122255495) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)imidazolidin-2-one
PubChem CID122255495
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)imidazolidin-2-one
SMILESCOC1CC2CCC(C1)N2C(=O)N1CCNC1=O
InChIInChI=1S/C12H19N3O3/c1-18-10-6-8-2-3-9(7-10)15(8)12(17)14-5-4-13-11(14)16/h8-10H,2-7H2,1H3,(H,13,16)
InChIKeyPEWNQJBOCMDBLM-UHFFFAOYSA-N
XLogP0.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)imidazolidin-2-one?
The IUPAC name of 1-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)imidazolidin-2-one (CID 122255495) is 1-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)imidazolidin-2-one?
The canonical SMILES for 1-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)imidazolidin-2-one is COC1CC2CCC(C1)N2C(=O)N1CCNC1=O.
What is the InChIKey of 1-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)imidazolidin-2-one?
The InChIKey is PEWNQJBOCMDBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-18-10-6-8-2-3-9(7-10)15(8)12(17)14-5-4-13-11(14)16/h8-10H,2-7H2,1H3,(H,13,16).
What are the key properties of 1-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)imidazolidin-2-one?
1-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)imidazolidin-2-one has a molecular weight of 253.30 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)imidazolidin-2-one is sourced from PubChem (CID 122255495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).