3'-(oxolan-3-yl)-1'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2',4'-dione

C16H25N3O3 — CID 58248203

IUPAC3'-(oxolan-3-yl)-1'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2',4'-dione
SMILESCC(C)N1C(=O)N(C2CCOC2)C(=O)C12CC1CCC(C2)N1
InChIInChI=1S/C16H25N3O3/c1-10(2)19-15(21)18(13-5-6-22-9-13)14(20)16(19)7-11-3-4-12(8-16)17-11/h10-13,17H,3-9H2,1-2H3
InChIKeyUMMKSCQVLQOKAS-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.10
Rot. Bonds2

About 3'-(oxolan-3-yl)-1'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2',4'-dione

3'-(oxolan-3-yl)-1'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2',4'-dione (PubChem CID 58248203) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3'-(oxolan-3-yl)-1'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-(oxolan-3-yl)-1'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2',4'-dione
PubChem CID58248203
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name3'-(oxolan-3-yl)-1'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2',4'-dione
SMILESCC(C)N1C(=O)N(C2CCOC2)C(=O)C12CC1CCC(C2)N1
InChIInChI=1S/C16H25N3O3/c1-10(2)19-15(21)18(13-5-6-22-9-13)14(20)16(19)7-11-3-4-12(8-16)17-11/h10-13,17H,3-9H2,1-2H3
InChIKeyUMMKSCQVLQOKAS-UHFFFAOYSA-N
XLogP1.10
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3'-(oxolan-3-yl)-1'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-(oxolan-3-yl)-1'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2',4'-dione (CID 58248203) is 3'-(oxolan-3-yl)-1'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-(oxolan-3-yl)-1'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-(oxolan-3-yl)-1'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2',4'-dione is CC(C)N1C(=O)N(C2CCOC2)C(=O)C12CC1CCC(C2)N1.
What is the InChIKey of 3'-(oxolan-3-yl)-1'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is UMMKSCQVLQOKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-10(2)19-15(21)18(13-5-6-22-9-13)14(20)16(19)7-11-3-4-12(8-16)17-11/h10-13,17H,3-9H2,1-2H3.
What are the key properties of 3'-(oxolan-3-yl)-1'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2',4'-dione?
3'-(oxolan-3-yl)-1'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 307.39 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(oxolan-3-yl)-1'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 58248203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).