2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decane-6,8-dione

C14H15N3O4 — CID 146198268

IUPAC2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decane-6,8-dione
SMILESO=C1CCC2(CCN(c3ccc([N+](=O)[O-])cc3)C2)C(=O)N1
InChIInChI=1S/C14H15N3O4/c18-12-5-6-14(13(19)15-12)7-8-16(9-14)10-1-3-11(4-2-10)17(20)21/h1-4H,5-9H2,(H,15,18,19)
InChIKeyKVFAGCXJJHBNRS-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.23
Rot. Bonds2

About 2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decane-6,8-dione

2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decane-6,8-dione (PubChem CID 146198268) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decane-6,8-dione.

Molecular Properties

Compound Name2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decane-6,8-dione
PubChem CID146198268
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decane-6,8-dione
SMILESO=C1CCC2(CCN(c3ccc([N+](=O)[O-])cc3)C2)C(=O)N1
InChIInChI=1S/C14H15N3O4/c18-12-5-6-14(13(19)15-12)7-8-16(9-14)10-1-3-11(4-2-10)17(20)21/h1-4H,5-9H2,(H,15,18,19)
InChIKeyKVFAGCXJJHBNRS-UHFFFAOYSA-N
XLogP1.23
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-(4-nitrophenyl)-5-azaspiro[2.5]octane
CID 133480921
7-(4-nitrophenyl)-2,7-diazaspiro[3.5]nonane;hydrochloride
CID 177197386
8-methylidene-2-(6-nitro-1H-benzimidazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 159454094
2-(4-nitrophenyl)-7-oxa-2-azaspiro[3.5]nonane
CID 118979580
1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione
CID 66605218
1-(4-methylphenyl)-4-(4-nitrophenyl)piperazine
CID 12668784
6-methyl-2-(4-nitrophenyl)-2,6-diazaspiro[3.3]heptane
CID 154969076
(2R,6R)-2,6-dimethyl-4-(4-nitrophenyl)morpholine
CID 7062388
4-ethyl-1-(4-nitrophenyl)piperidine-4-carboxylic acid
CID 63126114
1-[4-(4-nitrophenyl)phenyl]piperidine
CID 22899688
5,5-dimethyl-3-(4-nitrophenyl)-1,3-diazinane-2,4-dione
CID 115429011
3-ethyl-1-(4-nitrophenyl)piperidine-3-carboxylic acid
CID 63136304

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decane-6,8-dione?
The IUPAC name of 2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decane-6,8-dione (CID 146198268) is 2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decane-6,8-dione.
What is the SMILES notation for 2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decane-6,8-dione?
The canonical SMILES for 2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decane-6,8-dione is O=C1CCC2(CCN(c3ccc([N+](=O)[O-])cc3)C2)C(=O)N1.
What is the InChIKey of 2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decane-6,8-dione?
The InChIKey is KVFAGCXJJHBNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c18-12-5-6-14(13(19)15-12)7-8-16(9-14)10-1-3-11(4-2-10)17(20)21/h1-4H,5-9H2,(H,15,18,19).
What are the key properties of 2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decane-6,8-dione?
2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decane-6,8-dione has a molecular weight of 289.29 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decane-6,8-dione is sourced from PubChem (CID 146198268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).