2-(1-methylpyrrolidin-3-yl)-N-prop-2-enylacetamide

C10H18N2O — CID 110848144

IUPAC2-(1-methylpyrrolidin-3-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CC1CCN(C)C1
InChIInChI=1S/C10H18N2O/c1-3-5-11-10(13)7-9-4-6-12(2)8-9/h3,9H,1,4-8H2,2H3,(H,11,13)
InChIKeyXIGXEHDZHLNNJZ-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.63
Rot. Bonds4

About 2-(1-methylpyrrolidin-3-yl)-N-prop-2-enylacetamide

2-(1-methylpyrrolidin-3-yl)-N-prop-2-enylacetamide (PubChem CID 110848144) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-3-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-3-yl)-N-prop-2-enylacetamide
PubChem CID110848144
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(1-methylpyrrolidin-3-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CC1CCN(C)C1
InChIInChI=1S/C10H18N2O/c1-3-5-11-10(13)7-9-4-6-12(2)8-9/h3,9H,1,4-8H2,2H3,(H,11,13)
InChIKeyXIGXEHDZHLNNJZ-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-3-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(1-methylpyrrolidin-3-yl)-N-prop-2-enylacetamide (CID 110848144) is 2-(1-methylpyrrolidin-3-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(1-methylpyrrolidin-3-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(1-methylpyrrolidin-3-yl)-N-prop-2-enylacetamide is C=CCNC(=O)CC1CCN(C)C1.
What is the InChIKey of 2-(1-methylpyrrolidin-3-yl)-N-prop-2-enylacetamide?
The InChIKey is XIGXEHDZHLNNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-5-11-10(13)7-9-4-6-12(2)8-9/h3,9H,1,4-8H2,2H3,(H,11,13).
What are the key properties of 2-(1-methylpyrrolidin-3-yl)-N-prop-2-enylacetamide?
2-(1-methylpyrrolidin-3-yl)-N-prop-2-enylacetamide has a molecular weight of 182.27 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-3-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 110848144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).