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

C13H22N2O2 — CID 70414233

IUPAC1-pyrrolidin-1-ylprop-2-en-1-one;N,N,2-trimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)C.C=CC(=O)N1CCCC1
InChIInChI=1S/C7H11NO.C6H11NO/c1-2-7(9)8-5-3-4-6-8;1-5(2)6(8)7(3)4/h2H,1,3-6H2;1H2,2-4H3
InChIKeyNNDVHTMEQILFPY-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.45
Rot. Bonds2

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

1-pyrrolidin-1-ylprop-2-en-1-one;N,N,2-trimethylprop-2-enamide (PubChem CID 70414233) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylprop-2-en-1-one;N,N,2-trimethylprop-2-enamide.

Molecular Properties

Compound Name1-pyrrolidin-1-ylprop-2-en-1-one;N,N,2-trimethylprop-2-enamide
PubChem CID70414233
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-pyrrolidin-1-ylprop-2-en-1-one;N,N,2-trimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)C.C=CC(=O)N1CCCC1
InChIInChI=1S/C7H11NO.C6H11NO/c1-2-7(9)8-5-3-4-6-8;1-5(2)6(8)7(3)4/h2H,1,3-6H2;1H2,2-4H3
InChIKeyNNDVHTMEQILFPY-UHFFFAOYSA-N
XLogP1.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.45
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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Related Compounds

acetaldehyde;1-pyrrolidin-1-ylprop-2-en-1-one
CID 156736748
1-(azetidin-1-yl)prop-2-en-1-one
CID 25230596
N,N-dimethyl-4-prop-2-enoylpiperazine-1-carboxamide
CID 60949594
1-(4-methylpiperazin-1-yl)prop-2-en-1-one;1-piperidin-1-ylprop-2-en-1-one
CID 70520596
N,N-dimethyl-1-prop-2-enoylpiperidine-4-carboxamide
CID 60948651
1-piperidin-1-ylprop-2-en-1-one;prop-2-enamide
CID 70414957
azane;N,N,2-trimethylprop-2-enamide
CID 162327856
N,N-dimethyl-4-prop-2-enoylpiperazine-1-sulfonamide
CID 60949795
1-[3-[ethyl(methyl)amino]piperidin-1-yl]prop-2-en-1-one
CID 155030706
4,4-dimethylpiperidine;1-piperidin-1-ylprop-2-en-1-one
CID 175432940
N-ethenyl-N-methylacetamide;1-morpholin-4-ylprop-2-en-1-one
CID 141284546
1-(4-cyclobutylpiperazin-1-yl)prop-2-en-1-one
CID 130842439

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylprop-2-en-1-one;N,N,2-trimethylprop-2-enamide?
The IUPAC name of 1-pyrrolidin-1-ylprop-2-en-1-one;N,N,2-trimethylprop-2-enamide (CID 70414233) is 1-pyrrolidin-1-ylprop-2-en-1-one;N,N,2-trimethylprop-2-enamide.
What is the SMILES notation for 1-pyrrolidin-1-ylprop-2-en-1-one;N,N,2-trimethylprop-2-enamide?
The canonical SMILES for 1-pyrrolidin-1-ylprop-2-en-1-one;N,N,2-trimethylprop-2-enamide is C=C(C)C(=O)N(C)C.C=CC(=O)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-ylprop-2-en-1-one;N,N,2-trimethylprop-2-enamide?
The InChIKey is NNDVHTMEQILFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.C6H11NO/c1-2-7(9)8-5-3-4-6-8;1-5(2)6(8)7(3)4/h2H,1,3-6H2;1H2,2-4H3.
What are the key properties of 1-pyrrolidin-1-ylprop-2-en-1-one;N,N,2-trimethylprop-2-enamide?
1-pyrrolidin-1-ylprop-2-en-1-one;N,N,2-trimethylprop-2-enamide has a molecular weight of 238.33 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylprop-2-en-1-one;N,N,2-trimethylprop-2-enamide is sourced from PubChem (CID 70414233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).