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

C13H22N4O — CID 138391376

IUPAC4'-imino-1'-propylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one
SMILES[H]/N=C1\NC(=O)N(CCC)C12CCN1CCCCC12
InChIInChI=1S/C13H22N4O/c1-2-7-17-12(18)15-11(14)13(17)6-9-16-8-4-3-5-10(13)16/h10H,2-9H2,1H3,(H2,14,15,18)
InChIKeyUWTJKSWGPADVOR-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.40
Rot. Bonds2

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

4'-imino-1'-propylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one (PubChem CID 138391376) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4'-imino-1'-propylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one.

Molecular Properties

Compound Name4'-imino-1'-propylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one
PubChem CID138391376
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4'-imino-1'-propylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one
SMILES[H]/N=C1\NC(=O)N(CCC)C12CCN1CCCCC12
InChIInChI=1S/C13H22N4O/c1-2-7-17-12(18)15-11(14)13(17)6-9-16-8-4-3-5-10(13)16/h10H,2-9H2,1H3,(H2,14,15,18)
InChIKeyUWTJKSWGPADVOR-UHFFFAOYSA-N
XLogP1.40
TPSA59.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4'-imino-1'-(2-methylpropyl)spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one
CID 138391371
6-tert-butyl-4-imino-1-propyl-1,3-diazaspiro[4.5]decan-2-one
CID 138389503
4-imino-8-methyl-1-propyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138388849
4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one
CID 138389665
4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one
CID 138388762
4-imino-1,9-dipropyl-1,3,9-triazaspiro[4.6]undecan-2-one
CID 138389584
4-imino-7,8-dimethyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one
CID 138388761
6-tert-butyl-4-imino-1-(2-methoxyethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 138390780
4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 138389399
1-(cyclopropylmethyl)-4-imino-8-propyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138391051
1-ethyl-4-imino-6,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
CID 138389453
5-ethyl-4-imino-5-propan-2-yl-1-propylimidazolidin-2-one
CID 138388683

Frequently Asked Questions

What is the IUPAC name of 4'-imino-1'-propylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one?
The IUPAC name of 4'-imino-1'-propylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one (CID 138391376) is 4'-imino-1'-propylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one.
What is the SMILES notation for 4'-imino-1'-propylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one?
The canonical SMILES for 4'-imino-1'-propylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one is [H]/N=C1\NC(=O)N(CCC)C12CCN1CCCCC12.
What is the InChIKey of 4'-imino-1'-propylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one?
The InChIKey is UWTJKSWGPADVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-7-17-12(18)15-11(14)13(17)6-9-16-8-4-3-5-10(13)16/h10H,2-9H2,1H3,(H2,14,15,18).
What are the key properties of 4'-imino-1'-propylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one?
4'-imino-1'-propylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one has a molecular weight of 250.35 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-imino-1'-propylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one is sourced from PubChem (CID 138391376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).