4'-imino-1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2'-one

C12H19N3O — CID 138391249

IUPAC4'-imino-1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2'-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C12CC1CCC2C1
InChIInChI=1S/C12H19N3O/c1-7(2)15-11(16)14-10(13)12(15)6-8-3-4-9(12)5-8/h7-9H,3-6H2,1-2H3,(H2,13,14,16)
InChIKeyQFXZLDHSZCNZMP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.96
Rot. Bonds1

About 4'-imino-1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2'-one

4'-imino-1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2'-one (PubChem CID 138391249) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4'-imino-1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2'-one.

Molecular Properties

Compound Name4'-imino-1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2'-one
PubChem CID138391249
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4'-imino-1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2'-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C12CC1CCC2C1
InChIInChI=1S/C12H19N3O/c1-7(2)15-11(16)14-10(13)12(15)6-8-3-4-9(12)5-8/h7-9H,3-6H2,1-2H3,(H2,13,14,16)
InChIKeyQFXZLDHSZCNZMP-UHFFFAOYSA-N
XLogP1.96
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4'-imino-1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2'-one?
The IUPAC name of 4'-imino-1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2'-one (CID 138391249) is 4'-imino-1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2'-one.
What is the SMILES notation for 4'-imino-1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2'-one?
The canonical SMILES for 4'-imino-1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2'-one is [H]/N=C1\NC(=O)N(C(C)C)C12CC1CCC2C1.
What is the InChIKey of 4'-imino-1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2'-one?
The InChIKey is QFXZLDHSZCNZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-7(2)15-11(16)14-10(13)12(15)6-8-3-4-9(12)5-8/h7-9H,3-6H2,1-2H3,(H2,13,14,16).
What are the key properties of 4'-imino-1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2'-one?
4'-imino-1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2'-one has a molecular weight of 221.30 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-imino-1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2'-one is sourced from PubChem (CID 138391249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).