(3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-propylpropanamide

C9H17N3O2 — CID 43270730

IUPAC(3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-propylpropanamide
SMILESCCCN(C(=O)C/C(N)=N/O)C1CC1
InChIInChI=1S/C9H17N3O2/c1-2-5-12(7-3-4-7)9(13)6-8(10)11-14/h7,14H,2-6H2,1H3,(H2,10,11)
InChIKeyBCHXKRLUWYURSC-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.52
Rot. Bonds5

About (3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-propylpropanamide

(3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-propylpropanamide (PubChem CID 43270730) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is (3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-propylpropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-propylpropanamide
PubChem CID43270730
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name(3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-propylpropanamide
SMILESCCCN(C(=O)C/C(N)=N/O)C1CC1
InChIInChI=1S/C9H17N3O2/c1-2-5-12(7-3-4-7)9(13)6-8(10)11-14/h7,14H,2-6H2,1H3,(H2,10,11)
InChIKeyBCHXKRLUWYURSC-UHFFFAOYSA-N
XLogP0.52
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.52
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 (3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-propylpropanamide?
The IUPAC name of (3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-propylpropanamide (CID 43270730) is (3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-propylpropanamide.
What is the SMILES notation for (3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-propylpropanamide?
The canonical SMILES for (3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-propylpropanamide is CCCN(C(=O)C/C(N)=N/O)C1CC1.
What is the InChIKey of (3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-propylpropanamide?
The InChIKey is BCHXKRLUWYURSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-2-5-12(7-3-4-7)9(13)6-8(10)11-14/h7,14H,2-6H2,1H3,(H2,10,11).
What are the key properties of (3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-propylpropanamide?
(3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-propylpropanamide has a molecular weight of 199.25 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-propylpropanamide is sourced from PubChem (CID 43270730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).