2-(dimethylamino)propyl 3-oxo-2-pyrrolidin-1-ylprop-2-enoate

C12H20N2O3 — CID 141122455

IUPAC2-(dimethylamino)propyl 3-oxo-2-pyrrolidin-1-ylprop-2-enoate
SMILESCC(COC(=O)C(=C=O)N1CCCC1)N(C)C
InChIInChI=1S/C12H20N2O3/c1-10(13(2)3)9-17-12(16)11(8-15)14-6-4-5-7-14/h10H,4-7,9H2,1-3H3
InChIKeyBJJUNTKPYYKVOZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.29
Rot. Bonds5

About 2-(dimethylamino)propyl 3-oxo-2-pyrrolidin-1-ylprop-2-enoate

2-(dimethylamino)propyl 3-oxo-2-pyrrolidin-1-ylprop-2-enoate (PubChem CID 141122455) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(dimethylamino)propyl 3-oxo-2-pyrrolidin-1-ylprop-2-enoate.

Molecular Properties

Compound Name2-(dimethylamino)propyl 3-oxo-2-pyrrolidin-1-ylprop-2-enoate
PubChem CID141122455
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-(dimethylamino)propyl 3-oxo-2-pyrrolidin-1-ylprop-2-enoate
SMILESCC(COC(=O)C(=C=O)N1CCCC1)N(C)C
InChIInChI=1S/C12H20N2O3/c1-10(13(2)3)9-17-12(16)11(8-15)14-6-4-5-7-14/h10H,4-7,9H2,1-3H3
InChIKeyBJJUNTKPYYKVOZ-UHFFFAOYSA-N
XLogP0.29
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate
CID 135193493
N-[2-(dimethylamino)propyl]piperidine-1-carboxamide
CID 115581577
N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide
CID 79152627
(3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea
CID 60634981
N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide
CID 116657585
2-amino-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 20500850
2-aminopropyl pyrrolidine-1-carboxylate
CID 175158579
(3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea
CID 60634937
(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
CID 22690990
2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43137255
N,N-dimethyl-2-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]acetamide
CID 78809290
ethyl 2-[methyl(piperidine-1-carbonyl)amino]acetate
CID 78984916

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)propyl 3-oxo-2-pyrrolidin-1-ylprop-2-enoate?
The IUPAC name of 2-(dimethylamino)propyl 3-oxo-2-pyrrolidin-1-ylprop-2-enoate (CID 141122455) is 2-(dimethylamino)propyl 3-oxo-2-pyrrolidin-1-ylprop-2-enoate.
What is the SMILES notation for 2-(dimethylamino)propyl 3-oxo-2-pyrrolidin-1-ylprop-2-enoate?
The canonical SMILES for 2-(dimethylamino)propyl 3-oxo-2-pyrrolidin-1-ylprop-2-enoate is CC(COC(=O)C(=C=O)N1CCCC1)N(C)C.
What is the InChIKey of 2-(dimethylamino)propyl 3-oxo-2-pyrrolidin-1-ylprop-2-enoate?
The InChIKey is BJJUNTKPYYKVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-10(13(2)3)9-17-12(16)11(8-15)14-6-4-5-7-14/h10H,4-7,9H2,1-3H3.
What are the key properties of 2-(dimethylamino)propyl 3-oxo-2-pyrrolidin-1-ylprop-2-enoate?
2-(dimethylamino)propyl 3-oxo-2-pyrrolidin-1-ylprop-2-enoate has a molecular weight of 240.30 g/mol, XLogP of 0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)propyl 3-oxo-2-pyrrolidin-1-ylprop-2-enoate is sourced from PubChem (CID 141122455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).