4'-amino-1'-cyclopropyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazole]-2'-one

C13H20N4O — CID 79959445

IUPAC4'-amino-1'-cyclopropyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazole]-2'-one
SMILESCN1C2CCC1CC1(C2)C(N)=NC(=O)N1C1CC1
InChIInChI=1S/C13H20N4O/c1-16-9-4-5-10(16)7-13(6-9)11(14)15-12(18)17(13)8-2-3-8/h8-10H,2-7H2,1H3,(H2,14,15,18)
InChIKeyXORPLDIDGISNBO-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.94
Rot. Bonds1

About 4'-amino-1'-cyclopropyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazole]-2'-one

4'-amino-1'-cyclopropyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazole]-2'-one (PubChem CID 79959445) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4'-amino-1'-cyclopropyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazole]-2'-one.

Molecular Properties

Compound Name4'-amino-1'-cyclopropyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazole]-2'-one
PubChem CID79959445
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4'-amino-1'-cyclopropyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazole]-2'-one
SMILESCN1C2CCC1CC1(C2)C(N)=NC(=O)N1C1CC1
InChIInChI=1S/C13H20N4O/c1-16-9-4-5-10(16)7-13(6-9)11(14)15-12(18)17(13)8-2-3-8/h8-10H,2-7H2,1H3,(H2,14,15,18)
InChIKeyXORPLDIDGISNBO-UHFFFAOYSA-N
XLogP0.94
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4'-amino-1'-cyclopropyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazole]-2'-one?
The IUPAC name of 4'-amino-1'-cyclopropyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazole]-2'-one (CID 79959445) is 4'-amino-1'-cyclopropyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazole]-2'-one.
What is the SMILES notation for 4'-amino-1'-cyclopropyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazole]-2'-one?
The canonical SMILES for 4'-amino-1'-cyclopropyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazole]-2'-one is CN1C2CCC1CC1(C2)C(N)=NC(=O)N1C1CC1.
What is the InChIKey of 4'-amino-1'-cyclopropyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazole]-2'-one?
The InChIKey is XORPLDIDGISNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16-9-4-5-10(16)7-13(6-9)11(14)15-12(18)17(13)8-2-3-8/h8-10H,2-7H2,1H3,(H2,14,15,18).
What are the key properties of 4'-amino-1'-cyclopropyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazole]-2'-one?
4'-amino-1'-cyclopropyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazole]-2'-one has a molecular weight of 248.33 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-amino-1'-cyclopropyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazole]-2'-one is sourced from PubChem (CID 79959445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).