N-ethyl-N-[(2Z)-2-hydroxyiminopropyl]nitramide

C5H11N3O3 — CID 15354890

IUPACN-ethyl-N-[(2Z)-2-hydroxyiminopropyl]nitramide
SMILESCCN(C/C(C)=N\O)[N+](=O)[O-]
InChIInChI=1S/C5H11N3O3/c1-3-7(8(10)11)4-5(2)6-9/h9H,3-4H2,1-2H3/b6-5-
InChIKeyIOSFNVSLHHWTIL-WAYWQWQTSA-N
MW161.16 g/mol
LogP0.35
Rot. Bonds4

About N-ethyl-N-[(2Z)-2-hydroxyiminopropyl]nitramide

N-ethyl-N-[(2Z)-2-hydroxyiminopropyl]nitramide (PubChem CID 15354890) has the molecular formula C5H11N3O3 and a molecular weight of 161.16 g/mol. Its IUPAC name is N-ethyl-N-[(2Z)-2-hydroxyiminopropyl]nitramide.

Molecular Properties

Compound NameN-ethyl-N-[(2Z)-2-hydroxyiminopropyl]nitramide
PubChem CID15354890
Molecular FormulaC5H11N3O3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC NameN-ethyl-N-[(2Z)-2-hydroxyiminopropyl]nitramide
SMILESCCN(C/C(C)=N\O)[N+](=O)[O-]
InChIInChI=1S/C5H11N3O3/c1-3-7(8(10)11)4-5(2)6-9/h9H,3-4H2,1-2H3/b6-5-
InChIKeyIOSFNVSLHHWTIL-WAYWQWQTSA-N
XLogP0.35
TPSA78.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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 N-ethyl-N-[(2Z)-2-hydroxyiminopropyl]nitramide?
The IUPAC name of N-ethyl-N-[(2Z)-2-hydroxyiminopropyl]nitramide (CID 15354890) is N-ethyl-N-[(2Z)-2-hydroxyiminopropyl]nitramide.
What is the SMILES notation for N-ethyl-N-[(2Z)-2-hydroxyiminopropyl]nitramide?
The canonical SMILES for N-ethyl-N-[(2Z)-2-hydroxyiminopropyl]nitramide is CCN(C/C(C)=N\O)[N+](=O)[O-].
What is the InChIKey of N-ethyl-N-[(2Z)-2-hydroxyiminopropyl]nitramide?
The InChIKey is IOSFNVSLHHWTIL-WAYWQWQTSA-N. The full InChI is InChI=1S/C5H11N3O3/c1-3-7(8(10)11)4-5(2)6-9/h9H,3-4H2,1-2H3/b6-5-.
What are the key properties of N-ethyl-N-[(2Z)-2-hydroxyiminopropyl]nitramide?
N-ethyl-N-[(2Z)-2-hydroxyiminopropyl]nitramide has a molecular weight of 161.16 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2Z)-2-hydroxyiminopropyl]nitramide is sourced from PubChem (CID 15354890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).