1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-nitrophenyl)methanone

C14H16N2O5 — CID 2970489

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-nitrophenyl)methanone
SMILESO=C(c1ccccc1[N+](=O)[O-])N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H16N2O5/c17-13(11-3-1-2-4-12(11)16(18)19)15-7-5-14(6-8-15)20-9-10-21-14/h1-4H,5-10H2
InChIKeyNCOWXCCJOMOFKK-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.57
Rot. Bonds2

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-nitrophenyl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-nitrophenyl)methanone (PubChem CID 2970489) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-nitrophenyl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-nitrophenyl)methanone
PubChem CID2970489
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-nitrophenyl)methanone
SMILESO=C(c1ccccc1[N+](=O)[O-])N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H16N2O5/c17-13(11-3-1-2-4-12(11)16(18)19)15-7-5-14(6-8-15)20-9-10-21-14/h1-4H,5-10H2
InChIKeyNCOWXCCJOMOFKK-UHFFFAOYSA-N
XLogP1.57
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-Methylpiperazin-1-yl)(2-nitrophenyl)methanone
CID 686511
Ethyl 2-[tert-butyl(2-nitrobenzoyl)amino]acetate
CID 2807560
1-{[1-(2-Nitrobenzoyl)-3-piperidinyl]carbonyl}azepane
CID 2933211
2,6-Diallyl-1-{2-nitrobenzoyl}-1,2,3,6-tetrahydropyridine
CID 591827
3-Methyl-8-(o-nitrobenzoyl)-3,8-diazabicyclo(3.2.1)octane
CID 117387
N-(2-morpholin-4-ylethyl)-2-nitrobenzamide
CID 743298
Ethyl 1-(2-nitrobenzoyl)-3-piperidinecarboxylate
CID 2904165
4-[4-Nitro-2-(1-pyrrolidinylcarbonyl)phenyl]morpholine
CID 2934552
[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholin-4-yl]-(2-nitrophenyl)methanone
CID 46886608
(2-Nitrophenyl)-piperidin-1-ylmethanone
CID 2056358
2-nitro-N,N-di(propan-2-yl)benzamide
CID 2838505
Propiophenone, 3-morpholino-2'-nitro-, monohydrochloride
CID 207655

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-nitrophenyl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-nitrophenyl)methanone (CID 2970489) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-nitrophenyl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-nitrophenyl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-nitrophenyl)methanone is O=C(c1ccccc1[N+](=O)[O-])N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-nitrophenyl)methanone?
The InChIKey is NCOWXCCJOMOFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c17-13(11-3-1-2-4-12(11)16(18)19)15-7-5-14(6-8-15)20-9-10-21-14/h1-4H,5-10H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-nitrophenyl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-nitrophenyl)methanone has a molecular weight of 292.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-nitrophenyl)methanone is sourced from PubChem (CID 2970489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).