(2E)-N-[2-(dimethylamino)ethyl]-2-hydroxyiminopropanamide

C7H15N3O2 — CID 17027011

IUPAC(2E)-N-[2-(dimethylamino)ethyl]-2-hydroxyiminopropanamide
SMILESC/C(=N\O)C(=O)NCCN(C)C
InChIInChI=1S/C7H15N3O2/c1-6(9-12)7(11)8-4-5-10(2)3/h12H,4-5H2,1-3H3,(H,8,11)/b9-6+
InChIKeyWUQULCUJQXIKJM-RMKNXTFCSA-N
MW173.22 g/mol
LogP-0.49
Rot. Bonds4

About (2E)-N-[2-(dimethylamino)ethyl]-2-hydroxyiminopropanamide

(2E)-N-[2-(dimethylamino)ethyl]-2-hydroxyiminopropanamide (PubChem CID 17027011) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is (2E)-N-[2-(dimethylamino)ethyl]-2-hydroxyiminopropanamide.

Molecular Properties

Compound Name(2E)-N-[2-(dimethylamino)ethyl]-2-hydroxyiminopropanamide
PubChem CID17027011
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name(2E)-N-[2-(dimethylamino)ethyl]-2-hydroxyiminopropanamide
SMILESC/C(=N\O)C(=O)NCCN(C)C
InChIInChI=1S/C7H15N3O2/c1-6(9-12)7(11)8-4-5-10(2)3/h12H,4-5H2,1-3H3,(H,8,11)/b9-6+
InChIKeyWUQULCUJQXIKJM-RMKNXTFCSA-N
XLogP-0.49
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (2E)-N-[2-(dimethylamino)ethyl]-2-hydroxyiminopropanamide?
The IUPAC name of (2E)-N-[2-(dimethylamino)ethyl]-2-hydroxyiminopropanamide (CID 17027011) is (2E)-N-[2-(dimethylamino)ethyl]-2-hydroxyiminopropanamide.
What is the SMILES notation for (2E)-N-[2-(dimethylamino)ethyl]-2-hydroxyiminopropanamide?
The canonical SMILES for (2E)-N-[2-(dimethylamino)ethyl]-2-hydroxyiminopropanamide is C/C(=N\O)C(=O)NCCN(C)C.
What is the InChIKey of (2E)-N-[2-(dimethylamino)ethyl]-2-hydroxyiminopropanamide?
The InChIKey is WUQULCUJQXIKJM-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-6(9-12)7(11)8-4-5-10(2)3/h12H,4-5H2,1-3H3,(H,8,11)/b9-6+.
What are the key properties of (2E)-N-[2-(dimethylamino)ethyl]-2-hydroxyiminopropanamide?
(2E)-N-[2-(dimethylamino)ethyl]-2-hydroxyiminopropanamide has a molecular weight of 173.22 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[2-(dimethylamino)ethyl]-2-hydroxyiminopropanamide is sourced from PubChem (CID 17027011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).