4'-imino-1'-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one

C15H19N3O — CID 138389883

IUPAC4'-imino-1'-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C12CCCc1ccccc12
InChIInChI=1S/C15H19N3O/c1-10(2)18-14(19)17-13(16)15(18)9-5-7-11-6-3-4-8-12(11)15/h3-4,6,8,10H,5,7,9H2,1-2H3,(H2,16,17,19)
InChIKeyNNSBDIKWDOVGET-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.63
Rot. Bonds1

About 4'-imino-1'-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one

4'-imino-1'-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one (PubChem CID 138389883) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4'-imino-1'-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one.

Molecular Properties

Compound Name4'-imino-1'-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
PubChem CID138389883
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4'-imino-1'-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C12CCCc1ccccc12
InChIInChI=1S/C15H19N3O/c1-10(2)18-14(19)17-13(16)15(18)9-5-7-11-6-3-4-8-12(11)15/h3-4,6,8,10H,5,7,9H2,1-2H3,(H2,16,17,19)
InChIKeyNNSBDIKWDOVGET-UHFFFAOYSA-N
XLogP2.63
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
CID 138389334
4'-imino-1'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
CID 138388524
4'-imino-1'-propylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2'-one
CID 138389056
6-bromo-4'-imino-1'-propan-2-ylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
CID 138391308
4-imino-5,5-dimethyl-1-propan-2-ylimidazolidin-2-one
CID 138390712
(5R)-4-iminospiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2-one
CID 164631160
(4R)-2'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-isoindole]-1'-one
CID 10665782
7-bromo-4'-imino-1'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2'-one
CID 138389810
4'-imino-6-methoxy-1'-prop-2-ynylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
CID 138390965
7-fluoro-4'-imino-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
CID 138391458
1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one
CID 67266051
4-imino-1,6-di(propan-2-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 138391382

Frequently Asked Questions

What is the IUPAC name of 4'-imino-1'-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one?
The IUPAC name of 4'-imino-1'-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one (CID 138389883) is 4'-imino-1'-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one.
What is the SMILES notation for 4'-imino-1'-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one?
The canonical SMILES for 4'-imino-1'-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one is [H]/N=C1\NC(=O)N(C(C)C)C12CCCc1ccccc12.
What is the InChIKey of 4'-imino-1'-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one?
The InChIKey is NNSBDIKWDOVGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)18-14(19)17-13(16)15(18)9-5-7-11-6-3-4-8-12(11)15/h3-4,6,8,10H,5,7,9H2,1-2H3,(H2,16,17,19).
What are the key properties of 4'-imino-1'-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one?
4'-imino-1'-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one has a molecular weight of 257.34 g/mol, XLogP of 2.63, 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[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one is sourced from PubChem (CID 138389883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).