(4-nitrophenyl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone

C15H18N2O4 — CID 678172

IUPAC(4-nitrophenyl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCOC12CCCCC2
InChIInChI=1S/C15H18N2O4/c18-14(12-4-6-13(7-5-12)17(19)20)16-10-11-21-15(16)8-2-1-3-9-15/h4-7H,1-3,8-11H2
InChIKeyYEMFTRKGXSKGBS-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.73
Rot. Bonds2

About (4-nitrophenyl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone

(4-nitrophenyl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone (PubChem CID 678172) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (4-nitrophenyl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone.

Molecular Properties

Compound Name(4-nitrophenyl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone
PubChem CID678172
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(4-nitrophenyl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCOC12CCCCC2
InChIInChI=1S/C15H18N2O4/c18-14(12-4-6-13(7-5-12)17(19)20)16-10-11-21-15(16)8-2-1-3-9-15/h4-7H,1-3,8-11H2
InChIKeyYEMFTRKGXSKGBS-UHFFFAOYSA-N
XLogP2.73
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Morpholino(4-nitrophenyl)methanone
CID 220838
1-(4-Nitrobenzoyl)piperidine
CID 225468
(4-Nitrophenyl)(pyrrolidin-1-yl)methanone
CID 386112
(3-Methyl-4-nitrophenyl)(morpholin-4-yl)methanone
CID 777806
3-nitro-N-(4-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}phenyl)benzamide
CID 2948274
Propiophenone, 3-morpholino-4'-nitro-, monohydrochloride
CID 200302
N-[4-(Morpholine-4-carbonyl)-phenyl]-4-nitro-benzamide
CID 1122217
4-nitro-N-(4-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}phenyl)benzamide
CID 2948675
Morpholino(3-nitrophenyl)methanone
CID 225453
4-nitro-N-[1-(4-morpholinylcarbonyl)-2-phenylvinyl]benzamide
CID 1100503
2-Pyrrolidinone, 5-ethoxy-1-(4-nitrobenzoyl)-, (+-)-
CID 3077934
2-Pyrrolidinone, 5-butoxy-1-(4-nitrobenzoyl)-, (+-)-
CID 3077941

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone?
The IUPAC name of (4-nitrophenyl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone (CID 678172) is (4-nitrophenyl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone.
What is the SMILES notation for (4-nitrophenyl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone?
The canonical SMILES for (4-nitrophenyl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone is O=C(c1ccc([N+](=O)[O-])cc1)N1CCOC12CCCCC2.
What is the InChIKey of (4-nitrophenyl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone?
The InChIKey is YEMFTRKGXSKGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-14(12-4-6-13(7-5-12)17(19)20)16-10-11-21-15(16)8-2-1-3-9-15/h4-7H,1-3,8-11H2.
What are the key properties of (4-nitrophenyl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone?
(4-nitrophenyl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone has a molecular weight of 290.32 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone is sourced from PubChem (CID 678172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).