3-[(4-nitrophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C15H17N3O4 — CID 2622540

IUPAC3-[(4-nitrophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H17N3O4/c19-13-15(8-2-1-3-9-15)16-14(20)17(13)10-11-4-6-12(7-5-11)18(21)22/h4-7H,1-3,8-10H2,(H,16,20)
InChIKeyGBGZADZELSNYOF-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.35
Rot. Bonds3

About 3-[(4-nitrophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(4-nitrophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2622540) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-[(4-nitrophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(4-nitrophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2622540
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name3-[(4-nitrophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H17N3O4/c19-13-15(8-2-1-3-9-15)16-14(20)17(13)10-11-4-6-12(7-5-11)18(21)22/h4-7H,1-3,8-10H2,(H,16,20)
InChIKeyGBGZADZELSNYOF-UHFFFAOYSA-N
XLogP2.35
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-5-(4-nitro-phenyl)-imidazolidine-2,4-dione
CID 3119445
3-(2-(Dimethylamino)ethyl)-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 3095535
2-(2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-(4-fluorophenyl)acetamide
CID 2078174
N-[2-(3-Nitro-phenyl)-1-(pyrrolidine-1-carbonyl)-vinyl]-benzamide
CID 2208187
(5S)-3-methyl-5-[(4-nitrophenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 2823591
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide
CID 3976162
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide
CID 4555282
2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 18074157
3-p-Tolyl-1,3-diaza-spiro[4.5]decane-2,4-dione
CID 645633
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-phenylacetamide
CID 2997550
Pyrrolidine-1,2-dicarboxylic acid 2-benzylamide 1-[(2-nitro-phenyl)-amide]
CID 3230334
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-nitrophenyl)acetamide
CID 4879431

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitrophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(4-nitrophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2622540) is 3-[(4-nitrophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(4-nitrophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(4-nitrophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-[(4-nitrophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is GBGZADZELSNYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c19-13-15(8-2-1-3-9-15)16-14(20)17(13)10-11-4-6-12(7-5-11)18(21)22/h4-7H,1-3,8-10H2,(H,16,20).
What are the key properties of 3-[(4-nitrophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(4-nitrophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 303.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nitrophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2622540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).