dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;chloride

C14H25ClN2O — CID 68736649

IUPACdimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;chloride
SMILESC=CC[N+](C)(C)CC=C.C=CN1CCCC1=O.[Cl-]
InChIInChI=1S/C8H16N.C6H9NO.ClH/c1-5-7-9(3,4)8-6-2;1-2-7-5-3-4-6(7)8;/h5-6H,1-2,7-8H2,3-4H3;2H,1,3-5H2;1H/q+1;;/p-1
InChIKeyIMDVUIPUEKTSNB-UHFFFAOYSA-M
MW272.82 g/mol
LogP-0.81
Rot. Bonds5

About dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;chloride

dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;chloride (PubChem CID 68736649) has the molecular formula C14H25ClN2O and a molecular weight of 272.82 g/mol. Its IUPAC name is dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;chloride.

Molecular Properties

Compound Namedimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;chloride
PubChem CID68736649
Molecular FormulaC14H25ClN2O
Molecular Weight272.82 g/mol
Exact Mass272.17
IUPAC Namedimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;chloride
SMILESC=CC[N+](C)(C)CC=C.C=CN1CCCC1=O.[Cl-]
InChIInChI=1S/C8H16N.C6H9NO.ClH/c1-5-7-9(3,4)8-6-2;1-2-7-5-3-4-6(7)8;/h5-6H,1-2,7-8H2,3-4H3;2H,1,3-5H2;1H/q+1;;/p-1
InChIKeyIMDVUIPUEKTSNB-UHFFFAOYSA-M
XLogP-0.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.82
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;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-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;chloride?
The IUPAC name of dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;chloride (CID 68736649) is dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;chloride.
What is the SMILES notation for dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;chloride?
The canonical SMILES for dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;chloride is C=CC[N+](C)(C)CC=C.C=CN1CCCC1=O.[Cl-].
What is the InChIKey of dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;chloride?
The InChIKey is IMDVUIPUEKTSNB-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16N.C6H9NO.ClH/c1-5-7-9(3,4)8-6-2;1-2-7-5-3-4-6(7)8;/h5-6H,1-2,7-8H2,3-4H3;2H,1,3-5H2;1H/q+1;;/p-1.
What are the key properties of dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;chloride?
dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;chloride has a molecular weight of 272.82 g/mol, XLogP of -0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;chloride is sourced from PubChem (CID 68736649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).