2-cyclopropyl-2-hydroxy-3-nitropropanamide

C6H10N2O4 — CID 90460722

IUPAC2-cyclopropyl-2-hydroxy-3-nitropropanamide
SMILESNC(=O)C(O)(C[N+](=O)[O-])C1CC1
InChIInChI=1S/C6H10N2O4/c7-5(9)6(10,3-8(11)12)4-1-2-4/h4,10H,1-3H2,(H2,7,9)
InChIKeyJISKVTZHTGDZIB-UHFFFAOYSA-N
MW174.16 g/mol
LogP-1.11
Rot. Bonds4

About 2-cyclopropyl-2-hydroxy-3-nitropropanamide

2-cyclopropyl-2-hydroxy-3-nitropropanamide (PubChem CID 90460722) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is 2-cyclopropyl-2-hydroxy-3-nitropropanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-hydroxy-3-nitropropanamide
PubChem CID90460722
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name2-cyclopropyl-2-hydroxy-3-nitropropanamide
SMILESNC(=O)C(O)(C[N+](=O)[O-])C1CC1
InChIInChI=1S/C6H10N2O4/c7-5(9)6(10,3-8(11)12)4-1-2-4/h4,10H,1-3H2,(H2,7,9)
InChIKeyJISKVTZHTGDZIB-UHFFFAOYSA-N
XLogP-1.11
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-hydroxy-3-nitropropanamide?
The IUPAC name of 2-cyclopropyl-2-hydroxy-3-nitropropanamide (CID 90460722) is 2-cyclopropyl-2-hydroxy-3-nitropropanamide.
What is the SMILES notation for 2-cyclopropyl-2-hydroxy-3-nitropropanamide?
The canonical SMILES for 2-cyclopropyl-2-hydroxy-3-nitropropanamide is NC(=O)C(O)(C[N+](=O)[O-])C1CC1.
What is the InChIKey of 2-cyclopropyl-2-hydroxy-3-nitropropanamide?
The InChIKey is JISKVTZHTGDZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4/c7-5(9)6(10,3-8(11)12)4-1-2-4/h4,10H,1-3H2,(H2,7,9).
What are the key properties of 2-cyclopropyl-2-hydroxy-3-nitropropanamide?
2-cyclopropyl-2-hydroxy-3-nitropropanamide has a molecular weight of 174.16 g/mol, XLogP of -1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-hydroxy-3-nitropropanamide is sourced from PubChem (CID 90460722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).