dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride

C14H26ClN3O2 — CID 23053598

IUPACdimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride
SMILESC=C(C)C(=O)NCCC[N+](C)(C)CN1CCCC1=O.[Cl-]
InChIInChI=1S/C14H25N3O2.ClH/c1-12(2)14(19)15-8-6-10-17(3,4)11-16-9-5-7-13(16)18;/h1,5-11H2,2-4H3;1H
InChIKeyAOLSIRDOQXMONH-UHFFFAOYSA-N
MW303.83 g/mol
LogP-2.27
Rot. Bonds7

About dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride

dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride (PubChem CID 23053598) has the molecular formula C14H26ClN3O2 and a molecular weight of 303.83 g/mol. Its IUPAC name is dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride
PubChem CID23053598
Molecular FormulaC14H26ClN3O2
Molecular Weight303.83 g/mol
Exact Mass303.17
IUPAC Namedimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride
SMILESC=C(C)C(=O)NCCC[N+](C)(C)CN1CCCC1=O.[Cl-]
InChIInChI=1S/C14H25N3O2.ClH/c1-12(2)14(19)15-8-6-10-17(3,4)11-16-9-5-7-13(16)18;/h1,5-11H2,2-4H3;1H
InChIKeyAOLSIRDOQXMONH-UHFFFAOYSA-N
XLogP-2.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 5-2.27
H-Bond Donors ≤ 51
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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride?
The IUPAC name of dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride (CID 23053598) is dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride.
What is the SMILES notation for dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride?
The canonical SMILES for dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride is C=C(C)C(=O)NCCC[N+](C)(C)CN1CCCC1=O.[Cl-].
What is the InChIKey of dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride?
The InChIKey is AOLSIRDOQXMONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2.ClH/c1-12(2)14(19)15-8-6-10-17(3,4)11-16-9-5-7-13(16)18;/h1,5-11H2,2-4H3;1H.
What are the key properties of dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride?
dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride has a molecular weight of 303.83 g/mol, XLogP of -2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride is sourced from PubChem (CID 23053598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).