N,3-dimethyl-N-(1-methylpyrrolidin-3-yl)but-2-enamide

C11H20N2O — CID 130598254

IUPACN,3-dimethyl-N-(1-methylpyrrolidin-3-yl)but-2-enamide
SMILESCC(C)=CC(=O)N(C)C1CCN(C)C1
InChIInChI=1S/C11H20N2O/c1-9(2)7-11(14)13(4)10-5-6-12(3)8-10/h7,10H,5-6,8H2,1-4H3
InChIKeyJURDCYYBPAEFEX-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.12
Rot. Bonds2

About N,3-dimethyl-N-(1-methylpyrrolidin-3-yl)but-2-enamide

N,3-dimethyl-N-(1-methylpyrrolidin-3-yl)but-2-enamide (PubChem CID 130598254) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N,3-dimethyl-N-(1-methylpyrrolidin-3-yl)but-2-enamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(1-methylpyrrolidin-3-yl)but-2-enamide
PubChem CID130598254
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN,3-dimethyl-N-(1-methylpyrrolidin-3-yl)but-2-enamide
SMILESCC(C)=CC(=O)N(C)C1CCN(C)C1
InChIInChI=1S/C11H20N2O/c1-9(2)7-11(14)13(4)10-5-6-12(3)8-10/h7,10H,5-6,8H2,1-4H3
InChIKeyJURDCYYBPAEFEX-UHFFFAOYSA-N
XLogP1.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.12
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

N-methyl-N-(1-methylpiperidin-3-yl)but-2-enamide
CID 79005735
2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide
CID 66565800
N-methyl-N-(1-methylpiperidin-3-yl)-2-oxopropanamide
CID 115175567
ethane;N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide;yttrium
CID 160588404
ethane;N-methyl-N-(1-methylpyrrolidin-3-yl)formamide
CID 143070615
N-methyl-N-(1-methylpyrrolidin-3-yl)-3-oxopentanamide
CID 59675990
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
2-cyano-N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)propanamide
CID 115175075
(3S)-N,N,1-trimethylpyrrolidin-3-amine
CID 59975379
3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide
CID 115154624
4-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 115151057
3-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide
CID 115173733

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(1-methylpyrrolidin-3-yl)but-2-enamide?
The IUPAC name of N,3-dimethyl-N-(1-methylpyrrolidin-3-yl)but-2-enamide (CID 130598254) is N,3-dimethyl-N-(1-methylpyrrolidin-3-yl)but-2-enamide.
What is the SMILES notation for N,3-dimethyl-N-(1-methylpyrrolidin-3-yl)but-2-enamide?
The canonical SMILES for N,3-dimethyl-N-(1-methylpyrrolidin-3-yl)but-2-enamide is CC(C)=CC(=O)N(C)C1CCN(C)C1.
What is the InChIKey of N,3-dimethyl-N-(1-methylpyrrolidin-3-yl)but-2-enamide?
The InChIKey is JURDCYYBPAEFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(2)7-11(14)13(4)10-5-6-12(3)8-10/h7,10H,5-6,8H2,1-4H3.
What are the key properties of N,3-dimethyl-N-(1-methylpyrrolidin-3-yl)but-2-enamide?
N,3-dimethyl-N-(1-methylpyrrolidin-3-yl)but-2-enamide has a molecular weight of 196.29 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(1-methylpyrrolidin-3-yl)but-2-enamide is sourced from PubChem (CID 130598254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).