4-(3-amino-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one

C11H16N4O2 — CID 61235899

IUPAC4-(3-amino-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one
SMILESNC1CC2CCC(C1)N2C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H16N4O2/c12-6-3-7-1-2-8(4-6)15(7)10(16)9-5-13-11(17)14-9/h5-8H,1-4,12H2,(H2,13,14,17)
InChIKeyCDFINYISQHAXLW-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.20
Rot. Bonds1

About 4-(3-amino-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one

4-(3-amino-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one (PubChem CID 61235899) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(3-amino-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(3-amino-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one
PubChem CID61235899
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-(3-amino-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one
SMILESNC1CC2CCC(C1)N2C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H16N4O2/c12-6-3-7-1-2-8(4-6)15(7)10(16)9-5-13-11(17)14-9/h5-8H,1-4,12H2,(H2,13,14,17)
InChIKeyCDFINYISQHAXLW-UHFFFAOYSA-N
XLogP-0.20
TPSA94.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(3-amino-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(3-amino-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one (CID 61235899) is 4-(3-amino-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(3-amino-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(3-amino-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one is NC1CC2CCC(C1)N2C(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-(3-amino-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one?
The InChIKey is CDFINYISQHAXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-6-3-7-1-2-8(4-6)15(7)10(16)9-5-13-11(17)14-9/h5-8H,1-4,12H2,(H2,13,14,17).
What are the key properties of 4-(3-amino-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one?
4-(3-amino-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one has a molecular weight of 236.27 g/mol, XLogP of -0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 61235899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).