dimethyl-[3-[[(Z)-4-oxopent-2-en-2-yl]amino]propyl]azanium chloride

C10H21ClN2O — CID 139137367

IUPACdimethyl-[3-[[(Z)-4-oxopent-2-en-2-yl]amino]propyl]azanium chloride
SMILESCC(=O)/C=C(/C)NCCC[NH+](C)C.[Cl-]
InChIInChI=1S/C10H20N2O.ClH/c1-9(8-10(2)13)11-6-5-7-12(3)4;/h8,11H,5-7H2,1-4H3;1H/b9-8-;
InChIKeyQGZMKSTVOWSMDI-UOQXYWCXSA-N
MW220.74 g/mol
LogP-3.39
Rot. Bonds6

About dimethyl-[3-[[(Z)-4-oxopent-2-en-2-yl]amino]propyl]azanium chloride

dimethyl-[3-[[(Z)-4-oxopent-2-en-2-yl]amino]propyl]azanium chloride (PubChem CID 139137367) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is dimethyl-[3-[[(Z)-4-oxopent-2-en-2-yl]amino]propyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[3-[[(Z)-4-oxopent-2-en-2-yl]amino]propyl]azanium chloride
PubChem CID139137367
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC Namedimethyl-[3-[[(Z)-4-oxopent-2-en-2-yl]amino]propyl]azanium chloride
SMILESCC(=O)/C=C(/C)NCCC[NH+](C)C.[Cl-]
InChIInChI=1S/C10H20N2O.ClH/c1-9(8-10(2)13)11-6-5-7-12(3)4;/h8,11H,5-7H2,1-4H3;1H/b9-8-;
InChIKeyQGZMKSTVOWSMDI-UOQXYWCXSA-N
XLogP-3.39
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 5-3.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze dimethyl-[3-[[(Z)-4-oxopent-2-en-2-yl]amino]propyl]azanium chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-[[(Z)-4-oxopent-2-en-2-yl]amino]propyl]azanium chloride?
The IUPAC name of dimethyl-[3-[[(Z)-4-oxopent-2-en-2-yl]amino]propyl]azanium chloride (CID 139137367) is dimethyl-[3-[[(Z)-4-oxopent-2-en-2-yl]amino]propyl]azanium chloride.
What is the SMILES notation for dimethyl-[3-[[(Z)-4-oxopent-2-en-2-yl]amino]propyl]azanium chloride?
The canonical SMILES for dimethyl-[3-[[(Z)-4-oxopent-2-en-2-yl]amino]propyl]azanium chloride is CC(=O)/C=C(/C)NCCC[NH+](C)C.[Cl-].
What is the InChIKey of dimethyl-[3-[[(Z)-4-oxopent-2-en-2-yl]amino]propyl]azanium chloride?
The InChIKey is QGZMKSTVOWSMDI-UOQXYWCXSA-N. The full InChI is InChI=1S/C10H20N2O.ClH/c1-9(8-10(2)13)11-6-5-7-12(3)4;/h8,11H,5-7H2,1-4H3;1H/b9-8-;.
What are the key properties of dimethyl-[3-[[(Z)-4-oxopent-2-en-2-yl]amino]propyl]azanium chloride?
dimethyl-[3-[[(Z)-4-oxopent-2-en-2-yl]amino]propyl]azanium chloride has a molecular weight of 220.74 g/mol, XLogP of -3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-[[(Z)-4-oxopent-2-en-2-yl]amino]propyl]azanium chloride is sourced from PubChem (CID 139137367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).