3-amino-N-cyclopropyl-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

C9H14F3N3O2 — CID 76923827

IUPAC3-amino-N-cyclopropyl-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(CC(F)(F)F)C1CC1)C(N)=NO
InChIInChI=1S/C9H14F3N3O2/c1-5(7(13)14-17)8(16)15(6-2-3-6)4-9(10,11)12/h5-6,17H,2-4H2,1H3,(H2,13,14)
InChIKeyCVHBGYNWHMWXOQ-UHFFFAOYSA-N
MW253.22 g/mol
LogP0.92
Rot. Bonds4

About 3-amino-N-cyclopropyl-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

3-amino-N-cyclopropyl-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 76923827) has the molecular formula C9H14F3N3O2 and a molecular weight of 253.22 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID76923827
Molecular FormulaC9H14F3N3O2
Molecular Weight253.22 g/mol
Exact Mass253.10
IUPAC Name3-amino-N-cyclopropyl-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(CC(F)(F)F)C1CC1)C(N)=NO
InChIInChI=1S/C9H14F3N3O2/c1-5(7(13)14-17)8(16)15(6-2-3-6)4-9(10,11)12/h5-6,17H,2-4H2,1H3,(H2,13,14)
InChIKeyCVHBGYNWHMWXOQ-UHFFFAOYSA-N
XLogP0.92
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 3-amino-N-cyclopropyl-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-amino-N-cyclopropyl-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 76923827) is 3-amino-N-cyclopropyl-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-amino-N-cyclopropyl-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)N(CC(F)(F)F)C1CC1)C(N)=NO.
What is the InChIKey of 3-amino-N-cyclopropyl-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is CVHBGYNWHMWXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2/c1-5(7(13)14-17)8(16)15(6-2-3-6)4-9(10,11)12/h5-6,17H,2-4H2,1H3,(H2,13,14).
What are the key properties of 3-amino-N-cyclopropyl-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
3-amino-N-cyclopropyl-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 253.22 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 76923827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).