4'-imino-1'-(2-methylpropyl)spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one

C14H24N4O — CID 138391371

IUPAC4'-imino-1'-(2-methylpropyl)spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C12CCN1CCCCC12
InChIInChI=1S/C14H24N4O/c1-10(2)9-18-13(19)16-12(15)14(18)6-8-17-7-4-3-5-11(14)17/h10-11H,3-9H2,1-2H3,(H2,15,16,19)
InChIKeyWNSVDVOXNNHXQY-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.64
Rot. Bonds2

About 4'-imino-1'-(2-methylpropyl)spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one

4'-imino-1'-(2-methylpropyl)spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one (PubChem CID 138391371) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4'-imino-1'-(2-methylpropyl)spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one.

Molecular Properties

Compound Name4'-imino-1'-(2-methylpropyl)spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one
PubChem CID138391371
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4'-imino-1'-(2-methylpropyl)spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C12CCN1CCCCC12
InChIInChI=1S/C14H24N4O/c1-10(2)9-18-13(19)16-12(15)14(18)6-8-17-7-4-3-5-11(14)17/h10-11H,3-9H2,1-2H3,(H2,15,16,19)
InChIKeyWNSVDVOXNNHXQY-UHFFFAOYSA-N
XLogP1.64
TPSA59.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-(2-methylpropyl)spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one?
The IUPAC name of 4'-imino-1'-(2-methylpropyl)spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one (CID 138391371) is 4'-imino-1'-(2-methylpropyl)spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one.
What is the SMILES notation for 4'-imino-1'-(2-methylpropyl)spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one?
The canonical SMILES for 4'-imino-1'-(2-methylpropyl)spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one is [H]/N=C1\NC(=O)N(CC(C)C)C12CCN1CCCCC12.
What is the InChIKey of 4'-imino-1'-(2-methylpropyl)spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one?
The InChIKey is WNSVDVOXNNHXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)9-18-13(19)16-12(15)14(18)6-8-17-7-4-3-5-11(14)17/h10-11H,3-9H2,1-2H3,(H2,15,16,19).
What are the key properties of 4'-imino-1'-(2-methylpropyl)spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one?
4'-imino-1'-(2-methylpropyl)spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one has a molecular weight of 264.37 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-imino-1'-(2-methylpropyl)spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one is sourced from PubChem (CID 138391371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).