4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one

C16H21N3O — CID 138389334

IUPAC4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C12CCCc1ccccc12
InChIInChI=1S/C16H21N3O/c1-11(2)10-19-15(20)18-14(17)16(19)9-5-7-12-6-3-4-8-13(12)16/h3-4,6,8,11H,5,7,9-10H2,1-2H3,(H2,17,18,20)
InChIKeyNCPAVCCVLWLYAF-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.88
Rot. Bonds2

About 4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one

4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one (PubChem CID 138389334) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one.

Molecular Properties

Compound Name4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
PubChem CID138389334
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C12CCCc1ccccc12
InChIInChI=1S/C16H21N3O/c1-11(2)10-19-15(20)18-14(17)16(19)9-5-7-12-6-3-4-8-13(12)16/h3-4,6,8,11H,5,7,9-10H2,1-2H3,(H2,17,18,20)
InChIKeyNCPAVCCVLWLYAF-UHFFFAOYSA-N
XLogP2.88
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.88
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'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one?
The IUPAC name of 4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one (CID 138389334) is 4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one.
What is the SMILES notation for 4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one?
The canonical SMILES for 4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one is [H]/N=C1\NC(=O)N(CC(C)C)C12CCCc1ccccc12.
What is the InChIKey of 4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one?
The InChIKey is NCPAVCCVLWLYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(2)10-19-15(20)18-14(17)16(19)9-5-7-12-6-3-4-8-13(12)16/h3-4,6,8,11H,5,7,9-10H2,1-2H3,(H2,17,18,20).
What are the key properties of 4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one?
4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one has a molecular weight of 271.36 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one is sourced from PubChem (CID 138389334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).