(1E)-5-(diethylamino)-1-hydroxyiminopentan-2-one;hydrochloride

C9H19ClN2O2 — CID 172954738

IUPAC(1E)-5-(diethylamino)-1-hydroxyiminopentan-2-one;hydrochloride
SMILESCCN(CC)CCCC(=O)/C=N/O.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-3-11(4-2)7-5-6-9(12)8-10-13;/h8,13H,3-7H2,1-2H3;1H/b10-8+;
InChIKeyZGOCMXAIWLZHFW-VRTOBVRTSA-N
MW222.72 g/mol
LogP1.56
Rot. Bonds7

About (1E)-5-(diethylamino)-1-hydroxyiminopentan-2-one;hydrochloride

(1E)-5-(diethylamino)-1-hydroxyiminopentan-2-one;hydrochloride (PubChem CID 172954738) has the molecular formula C9H19ClN2O2 and a molecular weight of 222.72 g/mol. Its IUPAC name is (1E)-5-(diethylamino)-1-hydroxyiminopentan-2-one;hydrochloride.

Molecular Properties

Compound Name(1E)-5-(diethylamino)-1-hydroxyiminopentan-2-one;hydrochloride
PubChem CID172954738
Molecular FormulaC9H19ClN2O2
Molecular Weight222.72 g/mol
Exact Mass222.11
IUPAC Name(1E)-5-(diethylamino)-1-hydroxyiminopentan-2-one;hydrochloride
SMILESCCN(CC)CCCC(=O)/C=N/O.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-3-11(4-2)7-5-6-9(12)8-10-13;/h8,13H,3-7H2,1-2H3;1H/b10-8+;
InChIKeyZGOCMXAIWLZHFW-VRTOBVRTSA-N
XLogP1.56
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 51.56
H-Bond Donors ≤ 51
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'}

Analyze (1E)-5-(diethylamino)-1-hydroxyiminopentan-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1E)-10-(dimethylamino)-1-hydroxyiminodecan-2-one
CID 17027005
4-(diethylamino)butanoate;dihydrochloride
CID 21450375
(1Z)-5-[3-(dimethylamino)propylamino]-1-hydroxyiminopentan-2-one
CID 51713838
[(10Z)-10-hydroxyimino-9-oxodecyl]-trimethylazanium
CID 6412547
4-(diethylamino)-N-pyridin-1-ium-1-ylbutanamide
CID 22889874
6-[3-(diethylamino)propyl-ethylamino]hexanehydrazide
CID 102998195
(1Z)-6-[benzyl(methyl)amino]-1-hydroxyiminohexan-2-one
CID 6405380
4-[2-carboxyethyl(ethyl)amino]butanoic acid
CID 82330570
tert-butyl 4-(diethylamino)butanoate
CID 122660980
4-(diethylamino)-2-methylidenebutanoic acid;5-(diethylamino)-2-methylidenepentanoic acid
CID 87949068
3-(diethylamino)propanoyl chloride;hydrochloride
CID 18975499
7-(diethylamino)heptanoyl chloride
CID 58258251

Frequently Asked Questions

What is the IUPAC name of (1E)-5-(diethylamino)-1-hydroxyiminopentan-2-one;hydrochloride?
The IUPAC name of (1E)-5-(diethylamino)-1-hydroxyiminopentan-2-one;hydrochloride (CID 172954738) is (1E)-5-(diethylamino)-1-hydroxyiminopentan-2-one;hydrochloride.
What is the SMILES notation for (1E)-5-(diethylamino)-1-hydroxyiminopentan-2-one;hydrochloride?
The canonical SMILES for (1E)-5-(diethylamino)-1-hydroxyiminopentan-2-one;hydrochloride is CCN(CC)CCCC(=O)/C=N/O.Cl.
What is the InChIKey of (1E)-5-(diethylamino)-1-hydroxyiminopentan-2-one;hydrochloride?
The InChIKey is ZGOCMXAIWLZHFW-VRTOBVRTSA-N. The full InChI is InChI=1S/C9H18N2O2.ClH/c1-3-11(4-2)7-5-6-9(12)8-10-13;/h8,13H,3-7H2,1-2H3;1H/b10-8+;.
What are the key properties of (1E)-5-(diethylamino)-1-hydroxyiminopentan-2-one;hydrochloride?
(1E)-5-(diethylamino)-1-hydroxyiminopentan-2-one;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-5-(diethylamino)-1-hydroxyiminopentan-2-one;hydrochloride is sourced from PubChem (CID 172954738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).