N-[3-(dimethylamino)-3-(2-oxopyrrolidin-1-yl)propyl]-2-methylprop-2-enamide

C13H23N3O2 — CID 174556162

IUPACN-[3-(dimethylamino)-3-(2-oxopyrrolidin-1-yl)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC(N(C)C)N1CCCC1=O
InChIInChI=1S/C13H23N3O2/c1-10(2)13(18)14-8-7-11(15(3)4)16-9-5-6-12(16)17/h11H,1,5-9H2,2-4H3,(H,14,18)
InChIKeyJFLFKDGLCXDLHF-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.58
Rot. Bonds6

About N-[3-(dimethylamino)-3-(2-oxopyrrolidin-1-yl)propyl]-2-methylprop-2-enamide

N-[3-(dimethylamino)-3-(2-oxopyrrolidin-1-yl)propyl]-2-methylprop-2-enamide (PubChem CID 174556162) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-(2-oxopyrrolidin-1-yl)propyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-3-(2-oxopyrrolidin-1-yl)propyl]-2-methylprop-2-enamide
PubChem CID174556162
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[3-(dimethylamino)-3-(2-oxopyrrolidin-1-yl)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC(N(C)C)N1CCCC1=O
InChIInChI=1S/C13H23N3O2/c1-10(2)13(18)14-8-7-11(15(3)4)16-9-5-6-12(16)17/h11H,1,5-9H2,2-4H3,(H,14,18)
InChIKeyJFLFKDGLCXDLHF-UHFFFAOYSA-N
XLogP0.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-3-(2-oxopyrrolidin-1-yl)propyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-(dimethylamino)-3-(2-oxopyrrolidin-1-yl)propyl]-2-methylprop-2-enamide (CID 174556162) is N-[3-(dimethylamino)-3-(2-oxopyrrolidin-1-yl)propyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-(dimethylamino)-3-(2-oxopyrrolidin-1-yl)propyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-(dimethylamino)-3-(2-oxopyrrolidin-1-yl)propyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCC(N(C)C)N1CCCC1=O.
What is the InChIKey of N-[3-(dimethylamino)-3-(2-oxopyrrolidin-1-yl)propyl]-2-methylprop-2-enamide?
The InChIKey is JFLFKDGLCXDLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(2)13(18)14-8-7-11(15(3)4)16-9-5-6-12(16)17/h11H,1,5-9H2,2-4H3,(H,14,18).
What are the key properties of N-[3-(dimethylamino)-3-(2-oxopyrrolidin-1-yl)propyl]-2-methylprop-2-enamide?
N-[3-(dimethylamino)-3-(2-oxopyrrolidin-1-yl)propyl]-2-methylprop-2-enamide has a molecular weight of 253.35 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-3-(2-oxopyrrolidin-1-yl)propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 174556162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).