8'-aminospiro[1,3-dihydroperimidine-2,4'-naphthalene]-1'-one

C20H15N3O — CID 44629895

IUPAC8'-aminospiro[1,3-dihydroperimidine-2,4'-naphthalene]-1'-one
SMILESNc1cccc2c1C(=O)C=CC21Nc2cccc3cccc(c23)N1
InChIInChI=1S/C20H15N3O/c21-14-7-3-6-13-19(14)17(24)10-11-20(13)22-15-8-1-4-12-5-2-9-16(23-20)18(12)15/h1-11,22-23H,21H2
InChIKeyGEUHINMXSZXTFV-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.86
Rot. Bonds

About 8'-aminospiro[1,3-dihydroperimidine-2,4'-naphthalene]-1'-one

8'-aminospiro[1,3-dihydroperimidine-2,4'-naphthalene]-1'-one (PubChem CID 44629895) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 8'-aminospiro[1,3-dihydroperimidine-2,4'-naphthalene]-1'-one.

Molecular Properties

Compound Name8'-aminospiro[1,3-dihydroperimidine-2,4'-naphthalene]-1'-one
PubChem CID44629895
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name8'-aminospiro[1,3-dihydroperimidine-2,4'-naphthalene]-1'-one
SMILESNc1cccc2c1C(=O)C=CC21Nc2cccc3cccc(c23)N1
InChIInChI=1S/C20H15N3O/c21-14-7-3-6-13-19(14)17(24)10-11-20(13)22-15-8-1-4-12-5-2-9-16(23-20)18(12)15/h1-11,22-23H,21H2
InChIKeyGEUHINMXSZXTFV-UHFFFAOYSA-N
XLogP3.86
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8'-aminospiro[1,3-dihydroperimidine-2,4'-naphthalene]-1'-one?
The IUPAC name of 8'-aminospiro[1,3-dihydroperimidine-2,4'-naphthalene]-1'-one (CID 44629895) is 8'-aminospiro[1,3-dihydroperimidine-2,4'-naphthalene]-1'-one.
What is the SMILES notation for 8'-aminospiro[1,3-dihydroperimidine-2,4'-naphthalene]-1'-one?
The canonical SMILES for 8'-aminospiro[1,3-dihydroperimidine-2,4'-naphthalene]-1'-one is Nc1cccc2c1C(=O)C=CC21Nc2cccc3cccc(c23)N1.
What is the InChIKey of 8'-aminospiro[1,3-dihydroperimidine-2,4'-naphthalene]-1'-one?
The InChIKey is GEUHINMXSZXTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c21-14-7-3-6-13-19(14)17(24)10-11-20(13)22-15-8-1-4-12-5-2-9-16(23-20)18(12)15/h1-11,22-23H,21H2.
What are the key properties of 8'-aminospiro[1,3-dihydroperimidine-2,4'-naphthalene]-1'-one?
8'-aminospiro[1,3-dihydroperimidine-2,4'-naphthalene]-1'-one has a molecular weight of 313.36 g/mol, XLogP of 3.86, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-aminospiro[1,3-dihydroperimidine-2,4'-naphthalene]-1'-one is sourced from PubChem (CID 44629895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).