2-methyl-N-(1-methylpyrrolidin-2-yl)prop-2-enamide

C9H16N2O — CID 54184298

IUPAC2-methyl-N-(1-methylpyrrolidin-2-yl)prop-2-enamide
SMILESC=C(C)C(=O)NC1CCCN1C
InChIInChI=1S/C9H16N2O/c1-7(2)9(12)10-8-5-4-6-11(8)3/h8H,1,4-6H2,2-3H3,(H,10,12)
InChIKeyPEAHVQXQZVQELC-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.73
Rot. Bonds2

About 2-methyl-N-(1-methylpyrrolidin-2-yl)prop-2-enamide

2-methyl-N-(1-methylpyrrolidin-2-yl)prop-2-enamide (PubChem CID 54184298) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-N-(1-methylpyrrolidin-2-yl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(1-methylpyrrolidin-2-yl)prop-2-enamide
PubChem CID54184298
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-methyl-N-(1-methylpyrrolidin-2-yl)prop-2-enamide
SMILESC=C(C)C(=O)NC1CCCN1C
InChIInChI=1S/C9H16N2O/c1-7(2)9(12)10-8-5-4-6-11(8)3/h8H,1,4-6H2,2-3H3,(H,10,12)
InChIKeyPEAHVQXQZVQELC-UHFFFAOYSA-N
XLogP0.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
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 2-methyl-N-(1-methylpyrrolidin-2-yl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(1-methylpyrrolidin-2-yl)prop-2-enamide (CID 54184298) is 2-methyl-N-(1-methylpyrrolidin-2-yl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(1-methylpyrrolidin-2-yl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(1-methylpyrrolidin-2-yl)prop-2-enamide is C=C(C)C(=O)NC1CCCN1C.
What is the InChIKey of 2-methyl-N-(1-methylpyrrolidin-2-yl)prop-2-enamide?
The InChIKey is PEAHVQXQZVQELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)9(12)10-8-5-4-6-11(8)3/h8H,1,4-6H2,2-3H3,(H,10,12).
What are the key properties of 2-methyl-N-(1-methylpyrrolidin-2-yl)prop-2-enamide?
2-methyl-N-(1-methylpyrrolidin-2-yl)prop-2-enamide has a molecular weight of 168.24 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylpyrrolidin-2-yl)prop-2-enamide is sourced from PubChem (CID 54184298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).