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

C15H27N3O2 — CID 23064196

IUPACN-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one
SMILESC=C(C)C(=O)NC(CC)N(C)C.C=CN1CCCC1=O
InChIInChI=1S/C9H18N2O.C6H9NO/c1-6-8(11(4)5)10-9(12)7(2)3;1-2-7-5-3-4-6(7)8/h8H,2,6H2,1,3-5H3,(H,10,12);2H,1,3-5H2
InChIKeyNYMWGGAWNXMQBC-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.73
Rot. Bonds5

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

N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one (PubChem CID 23064196) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one.

Molecular Properties

Compound NameN-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one
PubChem CID23064196
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one
SMILESC=C(C)C(=O)NC(CC)N(C)C.C=CN1CCCC1=O
InChIInChI=1S/C9H18N2O.C6H9NO/c1-6-8(11(4)5)10-9(12)7(2)3;1-2-7-5-3-4-6(7)8/h8H,2,6H2,1,3-5H3,(H,10,12);2H,1,3-5H2
InChIKeyNYMWGGAWNXMQBC-UHFFFAOYSA-N
XLogP1.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one?
The IUPAC name of N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one (CID 23064196) is N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one.
What is the SMILES notation for N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one?
The canonical SMILES for N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one is C=C(C)C(=O)NC(CC)N(C)C.C=CN1CCCC1=O.
What is the InChIKey of N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one?
The InChIKey is NYMWGGAWNXMQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C6H9NO/c1-6-8(11(4)5)10-9(12)7(2)3;1-2-7-5-3-4-6(7)8/h8H,2,6H2,1,3-5H3,(H,10,12);2H,1,3-5H2.
What are the key properties of N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one?
N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one has a molecular weight of 281.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;1-ethenylpyrrolidin-2-one is sourced from PubChem (CID 23064196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).