N,N-diethylprop-2-enamide;1-pyrrolidin-1-ylprop-2-en-1-one

C14H24N2O2 — CID 70415225

IUPACN,N-diethylprop-2-enamide;1-pyrrolidin-1-ylprop-2-en-1-one
SMILESC=CC(=O)N(CC)CC.C=CC(=O)N1CCCC1
InChIInChI=1S/C7H11NO.C7H13NO/c1-2-7(9)8-5-3-4-6-8;1-4-7(9)8(5-2)6-3/h2H,1,3-6H2;4H,1,5-6H2,2-3H3
InChIKeyBEKOQQLZZCWRJI-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.84
Rot. Bonds4

About N,N-diethylprop-2-enamide;1-pyrrolidin-1-ylprop-2-en-1-one

N,N-diethylprop-2-enamide;1-pyrrolidin-1-ylprop-2-en-1-one (PubChem CID 70415225) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N,N-diethylprop-2-enamide;1-pyrrolidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound NameN,N-diethylprop-2-enamide;1-pyrrolidin-1-ylprop-2-en-1-one
PubChem CID70415225
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN,N-diethylprop-2-enamide;1-pyrrolidin-1-ylprop-2-en-1-one
SMILESC=CC(=O)N(CC)CC.C=CC(=O)N1CCCC1
InChIInChI=1S/C7H11NO.C7H13NO/c1-2-7(9)8-5-3-4-6-8;1-4-7(9)8(5-2)6-3/h2H,1,3-6H2;4H,1,5-6H2,2-3H3
InChIKeyBEKOQQLZZCWRJI-UHFFFAOYSA-N
XLogP1.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,N-diethylprop-2-enamide;1-pyrrolidin-1-ylprop-2-en-1-one?
The IUPAC name of N,N-diethylprop-2-enamide;1-pyrrolidin-1-ylprop-2-en-1-one (CID 70415225) is N,N-diethylprop-2-enamide;1-pyrrolidin-1-ylprop-2-en-1-one.
What is the SMILES notation for N,N-diethylprop-2-enamide;1-pyrrolidin-1-ylprop-2-en-1-one?
The canonical SMILES for N,N-diethylprop-2-enamide;1-pyrrolidin-1-ylprop-2-en-1-one is C=CC(=O)N(CC)CC.C=CC(=O)N1CCCC1.
What is the InChIKey of N,N-diethylprop-2-enamide;1-pyrrolidin-1-ylprop-2-en-1-one?
The InChIKey is BEKOQQLZZCWRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.C7H13NO/c1-2-7(9)8-5-3-4-6-8;1-4-7(9)8(5-2)6-3/h2H,1,3-6H2;4H,1,5-6H2,2-3H3.
What are the key properties of N,N-diethylprop-2-enamide;1-pyrrolidin-1-ylprop-2-en-1-one?
N,N-diethylprop-2-enamide;1-pyrrolidin-1-ylprop-2-en-1-one has a molecular weight of 252.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylprop-2-enamide;1-pyrrolidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 70415225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).