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

C7H13N3O2 — CID 43265263

IUPAC(3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-methylpropanamide
SMILESCN(C(=O)C/C(N)=N/O)C1CC1
InChIInChI=1S/C7H13N3O2/c1-10(5-2-3-5)7(11)4-6(8)9-12/h5,12H,2-4H2,1H3,(H2,8,9)
InChIKeyJWQCMPOTFFLAJB-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.26
Rot. Bonds3

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

(3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-methylpropanamide (PubChem CID 43265263) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is (3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-methylpropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-methylpropanamide
PubChem CID43265263
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name(3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-methylpropanamide
SMILESCN(C(=O)C/C(N)=N/O)C1CC1
InChIInChI=1S/C7H13N3O2/c1-10(5-2-3-5)7(11)4-6(8)9-12/h5,12H,2-4H2,1H3,(H2,8,9)
InChIKeyJWQCMPOTFFLAJB-UHFFFAOYSA-N
XLogP-0.26
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.26
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-methylpropanamide?
The IUPAC name of (3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-methylpropanamide (CID 43265263) is (3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-methylpropanamide.
What is the SMILES notation for (3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-methylpropanamide?
The canonical SMILES for (3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-methylpropanamide is CN(C(=O)C/C(N)=N/O)C1CC1.
What is the InChIKey of (3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-methylpropanamide?
The InChIKey is JWQCMPOTFFLAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-10(5-2-3-5)7(11)4-6(8)9-12/h5,12H,2-4H2,1H3,(H2,8,9).
What are the key properties of (3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-methylpropanamide?
(3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-N-methylpropanamide has a molecular weight of 171.20 g/mol, XLogP of -0.26, 3 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-methylpropanamide is sourced from PubChem (CID 43265263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).