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

C17H30ClN3O2 — CID 6453097

IUPACdimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;prop-2-enamide;chloride
SMILESC=CC(N)=O.C=CC[N+](C)(C)CC=C.C=CN1CCCC1=O.[Cl-]
InChIInChI=1S/C8H16N.C6H9NO.C3H5NO.ClH/c1-5-7-9(3,4)8-6-2;1-2-7-5-3-4-6(7)8;1-2-3(4)5;/h5-6H,1-2,7-8H2,3-4H3;2H,1,3-5H2;2H,1H2,(H2,4,5);1H/q+1;;;/p-1
InChIKeyXFLMDTRPWBXRQL-UHFFFAOYSA-M
MW343.90 g/mol
LogP-1.15
Rot. Bonds6

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

dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;prop-2-enamide;chloride (PubChem CID 6453097) has the molecular formula C17H30ClN3O2 and a molecular weight of 343.90 g/mol. Its IUPAC name is dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;prop-2-enamide;chloride.

Molecular Properties

Compound Namedimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;prop-2-enamide;chloride
PubChem CID6453097
Molecular FormulaC17H30ClN3O2
Molecular Weight343.90 g/mol
Exact Mass343.20
IUPAC Namedimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;prop-2-enamide;chloride
SMILESC=CC(N)=O.C=CC[N+](C)(C)CC=C.C=CN1CCCC1=O.[Cl-]
InChIInChI=1S/C8H16N.C6H9NO.C3H5NO.ClH/c1-5-7-9(3,4)8-6-2;1-2-7-5-3-4-6(7)8;1-2-3(4)5;/h5-6H,1-2,7-8H2,3-4H3;2H,1,3-5H2;2H,1H2,(H2,4,5);1H/q+1;;;/p-1
InChIKeyXFLMDTRPWBXRQL-UHFFFAOYSA-M
XLogP-1.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Prop-2-enimidic acid--1-ethenylpyrrolidin-2-one (1/1)
CID 168483
2-Methylprop-2-enimidic acid--1-ethenylpyrrolidin-2-one (1/1)
CID 170009
N,N-Dimethyl-N-(prop-2-en-1-yl)prop-2-en-1-aminium prop-2-enimidate--1-ethenylpyrrolidin-2-one--hydrogen chloride (1/1/1/1)
CID 138399989
1-Ethenylpyrrolidin-2-one;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
CID 3083175
Vinylpyrrolidone methacrylamidopropyldimethylamine
CID 66594908
Dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;chloride
CID 68736649
N,N-dimethylprop-2-enamide;1-ethenylpyrrolidin-2-one
CID 69328668
1-ethenylpyrrolidin-2-one;N-propan-2-ylprop-2-enamide
CID 70115748
1-Ethenylpyrrolidin-2-one;prop-2-en-1-amine
CID 134564650
(E)-N,N-diethyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide
CID 11127541
1-Ethenylpyrrolidin-2-one;bis(propan-2-one);prop-2-enamide
CID 17960359
N-vinyl-2-pyrrolidone-acrylamide
CID 54345946

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;prop-2-enamide;chloride?
The IUPAC name of dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;prop-2-enamide;chloride (CID 6453097) is dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;prop-2-enamide;chloride.
What is the SMILES notation for dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;prop-2-enamide;chloride?
The canonical SMILES for dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;prop-2-enamide;chloride is C=CC(N)=O.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;prop-2-enamide;chloride?
The InChIKey is XFLMDTRPWBXRQL-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16N.C6H9NO.C3H5NO.ClH/c1-5-7-9(3,4)8-6-2;1-2-7-5-3-4-6(7)8;1-2-3(4)5;/h5-6H,1-2,7-8H2,3-4H3;2H,1,3-5H2;2H,1H2,(H2,4,5);1H/q+1;;;/p-1.
What are the key properties of dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;prop-2-enamide;chloride?
dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;prop-2-enamide;chloride has a molecular weight of 343.90 g/mol, XLogP of -1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;prop-2-enamide;chloride is sourced from PubChem (CID 6453097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).