(E,2Z,5S)-2-hydroxyimino-N-methyl-5-nitrohex-3-enamide

C7H11N3O4 — CID 124581805

IUPAC(E,2Z,5S)-2-hydroxyimino-N-methyl-5-nitrohex-3-enamide
SMILESCNC(=O)C(/C=C/[C@H](C)[N+](=O)[O-])=N\O
InChIInChI=1S/C7H11N3O4/c1-5(10(13)14)3-4-6(9-12)7(11)8-2/h3-5,12H,1-2H3,(H,8,11)/b4-3+,9-6-/t5-/m0/s1
InChIKeyCWGYZWDPEJIZAU-NQCXIBDLSA-N
MW201.18 g/mol
LogP-0.22
Rot. Bonds4

About (E,2Z,5S)-2-hydroxyimino-N-methyl-5-nitrohex-3-enamide

(E,2Z,5S)-2-hydroxyimino-N-methyl-5-nitrohex-3-enamide (PubChem CID 124581805) has the molecular formula C7H11N3O4 and a molecular weight of 201.18 g/mol. Its IUPAC name is (E,2Z,5S)-2-hydroxyimino-N-methyl-5-nitrohex-3-enamide.

Molecular Properties

Compound Name(E,2Z,5S)-2-hydroxyimino-N-methyl-5-nitrohex-3-enamide
PubChem CID124581805
Molecular FormulaC7H11N3O4
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name(E,2Z,5S)-2-hydroxyimino-N-methyl-5-nitrohex-3-enamide
SMILESCNC(=O)C(/C=C/[C@H](C)[N+](=O)[O-])=N\O
InChIInChI=1S/C7H11N3O4/c1-5(10(13)14)3-4-6(9-12)7(11)8-2/h3-5,12H,1-2H3,(H,8,11)/b4-3+,9-6-/t5-/m0/s1
InChIKeyCWGYZWDPEJIZAU-NQCXIBDLSA-N
XLogP-0.22
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (E,2Z,5S)-2-hydroxyimino-N-methyl-5-nitrohex-3-enamide?
The IUPAC name of (E,2Z,5S)-2-hydroxyimino-N-methyl-5-nitrohex-3-enamide (CID 124581805) is (E,2Z,5S)-2-hydroxyimino-N-methyl-5-nitrohex-3-enamide.
What is the SMILES notation for (E,2Z,5S)-2-hydroxyimino-N-methyl-5-nitrohex-3-enamide?
The canonical SMILES for (E,2Z,5S)-2-hydroxyimino-N-methyl-5-nitrohex-3-enamide is CNC(=O)C(/C=C/[C@H](C)[N+](=O)[O-])=N\O.
What is the InChIKey of (E,2Z,5S)-2-hydroxyimino-N-methyl-5-nitrohex-3-enamide?
The InChIKey is CWGYZWDPEJIZAU-NQCXIBDLSA-N. The full InChI is InChI=1S/C7H11N3O4/c1-5(10(13)14)3-4-6(9-12)7(11)8-2/h3-5,12H,1-2H3,(H,8,11)/b4-3+,9-6-/t5-/m0/s1.
What are the key properties of (E,2Z,5S)-2-hydroxyimino-N-methyl-5-nitrohex-3-enamide?
(E,2Z,5S)-2-hydroxyimino-N-methyl-5-nitrohex-3-enamide has a molecular weight of 201.18 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2Z,5S)-2-hydroxyimino-N-methyl-5-nitrohex-3-enamide is sourced from PubChem (CID 124581805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).