4-hydroxyimino-6-nitro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide

C9H12N4O5 — CID 139615033

IUPAC4-hydroxyimino-6-nitro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide
SMILESNC(=O)C1=NOC2(CCCCC2[N+](=O)[O-])C1=NO
InChIInChI=1S/C9H12N4O5/c10-8(14)6-7(11-15)9(18-12-6)4-2-1-3-5(9)13(16)17/h5,15H,1-4H2,(H2,10,14)
InChIKeyUWCYAHYSUJHUMJ-UHFFFAOYSA-N
MW256.22 g/mol
LogP-0.35
Rot. Bonds2

About 4-hydroxyimino-6-nitro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide

4-hydroxyimino-6-nitro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 139615033) has the molecular formula C9H12N4O5 and a molecular weight of 256.22 g/mol. Its IUPAC name is 4-hydroxyimino-6-nitro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound Name4-hydroxyimino-6-nitro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID139615033
Molecular FormulaC9H12N4O5
Molecular Weight256.22 g/mol
Exact Mass256.08
IUPAC Name4-hydroxyimino-6-nitro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide
SMILESNC(=O)C1=NOC2(CCCCC2[N+](=O)[O-])C1=NO
InChIInChI=1S/C9H12N4O5/c10-8(14)6-7(11-15)9(18-12-6)4-2-1-3-5(9)13(16)17/h5,15H,1-4H2,(H2,10,14)
InChIKeyUWCYAHYSUJHUMJ-UHFFFAOYSA-N
XLogP-0.35
TPSA140.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxyimino-6-nitro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of 4-hydroxyimino-6-nitro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide (CID 139615033) is 4-hydroxyimino-6-nitro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for 4-hydroxyimino-6-nitro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for 4-hydroxyimino-6-nitro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide is NC(=O)C1=NOC2(CCCCC2[N+](=O)[O-])C1=NO.
What is the InChIKey of 4-hydroxyimino-6-nitro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is UWCYAHYSUJHUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O5/c10-8(14)6-7(11-15)9(18-12-6)4-2-1-3-5(9)13(16)17/h5,15H,1-4H2,(H2,10,14).
What are the key properties of 4-hydroxyimino-6-nitro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide?
4-hydroxyimino-6-nitro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 256.22 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyimino-6-nitro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 139615033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).