N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one

C15H27N3O2 — CID 66594908

IUPACN-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one
SMILESC=C(C)C(=O)NCCCN(C)C.C=CN1CCCC1=O
InChIInChI=1S/C9H18N2O.C6H9NO/c1-8(2)9(12)10-6-5-7-11(3)4;1-2-7-5-3-4-6(7)8/h1,5-7H2,2-4H3,(H,10,12);2H,1,3-5H2
InChIKeyFPNFGXJPIWIBDS-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.38
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one

N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one (PubChem CID 66594908) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one
PubChem CID66594908
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one
SMILESC=C(C)C(=O)NCCCN(C)C.C=CN1CCCC1=O
InChIInChI=1S/C9H18N2O.C6H9NO/c1-8(2)9(12)10-6-5-7-11(3)4;1-2-7-5-3-4-6(7)8/h1,5-7H2,2-4H3,(H,10,12);2H,1,3-5H2
InChIKeyFPNFGXJPIWIBDS-UHFFFAOYSA-N
XLogP1.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methylprop-2-enimidic acid--1-ethenylpyrrolidin-2-one (1/1)
CID 170009
Dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;prop-2-enamide;chloride
CID 6453097
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one;sulfuric acid
CID 44146288
1-Ethenylpyrrolidin-2-one;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
CID 3083175
1-ethenylpyrrolidin-2-one;N-propan-2-ylprop-2-enamide
CID 70115748
(3E)-1-methyl-3-(propylaminomethylidene)pyrrolidine-2,5-dione
CID 6291671
2-methyl-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 18464108
1-ethenylpyrrolidin-2-one;N-prop-1-en-2-ylacetamide
CID 20030263
Dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium
CID 23053599
N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one
CID 23064196
N-(3-(2-Oxopyrrolidin-1-yl)propyl)acrylamide
CID 43616623
N-vinyl-2-pyrrolidone-acrylamide
CID 54345946

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one (CID 66594908) is N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one is C=C(C)C(=O)NCCCN(C)C.C=CN1CCCC1=O.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one?
The InChIKey is FPNFGXJPIWIBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C6H9NO/c1-8(2)9(12)10-6-5-7-11(3)4;1-2-7-5-3-4-6(7)8/h1,5-7H2,2-4H3,(H,10,12);2H,1,3-5H2.
What are the key properties of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one?
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one has a molecular weight of 281.40 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one is sourced from PubChem (CID 66594908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).