2-methyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide

C10H18N2O — CID 18464084

IUPAC2-methyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCN1CCCC1
InChIInChI=1S/C10H18N2O/c1-9(2)10(13)11-5-8-12-6-3-4-7-12/h1,3-8H2,2H3,(H,11,13)
InChIKeyWLUCEGPKDOWCAS-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.77
Rot. Bonds4

About 2-methyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide

2-methyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide (PubChem CID 18464084) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-methyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide
PubChem CID18464084
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-methyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCN1CCCC1
InChIInChI=1S/C10H18N2O/c1-9(2)10(13)11-5-8-12-6-3-4-7-12/h1,3-8H2,2H3,(H,11,13)
InChIKeyWLUCEGPKDOWCAS-UHFFFAOYSA-N
XLogP0.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.77
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-(2-pyrrolidin-1-ylethyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide (CID 18464084) is 2-methyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide is C=C(C)C(=O)NCCN1CCCC1.
What is the InChIKey of 2-methyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide?
The InChIKey is WLUCEGPKDOWCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2)10(13)11-5-8-12-6-3-4-7-12/h1,3-8H2,2H3,(H,11,13).
What are the key properties of 2-methyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide?
2-methyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide has a molecular weight of 182.27 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide is sourced from PubChem (CID 18464084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).