4-methyl-5-nitro-2-nitrosopent-3-enamide

C6H9N3O4 — CID 57239396

IUPAC4-methyl-5-nitro-2-nitrosopent-3-enamide
SMILESCC(=CC(N=O)C(N)=O)C[N+](=O)[O-]
InChIInChI=1S/C6H9N3O4/c1-4(3-9(12)13)2-5(8-11)6(7)10/h2,5H,3H2,1H3,(H2,7,10)
InChIKeyONRBWJGREYULJP-UHFFFAOYSA-N
MW187.16 g/mol
LogP-0.17
Rot. Bonds5

About 4-methyl-5-nitro-2-nitrosopent-3-enamide

4-methyl-5-nitro-2-nitrosopent-3-enamide (PubChem CID 57239396) has the molecular formula C6H9N3O4 and a molecular weight of 187.16 g/mol. Its IUPAC name is 4-methyl-5-nitro-2-nitrosopent-3-enamide.

Molecular Properties

Compound Name4-methyl-5-nitro-2-nitrosopent-3-enamide
PubChem CID57239396
Molecular FormulaC6H9N3O4
Molecular Weight187.16 g/mol
Exact Mass187.06
IUPAC Name4-methyl-5-nitro-2-nitrosopent-3-enamide
SMILESCC(=CC(N=O)C(N)=O)C[N+](=O)[O-]
InChIInChI=1S/C6H9N3O4/c1-4(3-9(12)13)2-5(8-11)6(7)10/h2,5H,3H2,1H3,(H2,7,10)
InChIKeyONRBWJGREYULJP-UHFFFAOYSA-N
XLogP-0.17
TPSA115.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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

3-nitro-2-nitrosopropanamide
CID 57020615
(E)-4-bromo-2-methyl-1-nitrobut-2-ene
CID 88778707
2,7-dimethyl-1,8-dinitrooct-6-ene-2,5-diol
CID 88779491
[(E)-3-methyl-4-nitrobut-2-enyl] nitrate
CID 23263221
(3-methyl-4-nitrobut-2-enyl)phosphonic acid
CID 173442339
(7-acetyloxy-2,7-dimethyl-1,8-dinitrooct-2-en-4-yl) acetate
CID 54310278
iron;2-nitroacetate;diacetate
CID 173438416
2-(4-nitro-2-nitroso-3-oxobutan-2-yl)guanidine
CID 175282892
hexadecanoic acid;3-methyl-4-nitrobut-2-en-1-ol
CID 173441559
acetamide;guanidine;nitric acid
CID 173438373
(2S)-2-amino-5-[(1-amino-2-nitroethylidene)amino]pentanamide
CID 173187265
silver;acetamide;nitrate;hydrobromide
CID 174892203

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-nitro-2-nitrosopent-3-enamide?
The IUPAC name of 4-methyl-5-nitro-2-nitrosopent-3-enamide (CID 57239396) is 4-methyl-5-nitro-2-nitrosopent-3-enamide.
What is the SMILES notation for 4-methyl-5-nitro-2-nitrosopent-3-enamide?
The canonical SMILES for 4-methyl-5-nitro-2-nitrosopent-3-enamide is CC(=CC(N=O)C(N)=O)C[N+](=O)[O-].
What is the InChIKey of 4-methyl-5-nitro-2-nitrosopent-3-enamide?
The InChIKey is ONRBWJGREYULJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O4/c1-4(3-9(12)13)2-5(8-11)6(7)10/h2,5H,3H2,1H3,(H2,7,10).
What are the key properties of 4-methyl-5-nitro-2-nitrosopent-3-enamide?
4-methyl-5-nitro-2-nitrosopent-3-enamide has a molecular weight of 187.16 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-nitro-2-nitrosopent-3-enamide is sourced from PubChem (CID 57239396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).