2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one

C15H24N2O2 — CID 70415424

IUPAC2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CCCC1.C=CC(=O)N1CCCC1
InChIInChI=1S/C8H13NO.C7H11NO/c1-7(2)8(10)9-5-3-4-6-9;1-2-7(9)8-5-3-4-6-8/h1,3-6H2,2H3;2H,1,3-6H2
InChIKeyKGOLRNOEDCPUFP-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.98
Rot. Bonds2

About 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one

2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one (PubChem CID 70415424) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one
PubChem CID70415424
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CCCC1.C=CC(=O)N1CCCC1
InChIInChI=1S/C8H13NO.C7H11NO/c1-7(2)8(10)9-5-3-4-6-9;1-2-7(9)8-5-3-4-6-8/h1,3-6H2,2H3;2H,1,3-6H2
InChIKeyKGOLRNOEDCPUFP-UHFFFAOYSA-N
XLogP1.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.98
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one?
The IUPAC name of 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one (CID 70415424) is 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one.
What is the SMILES notation for 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one?
The canonical SMILES for 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one is C=C(C)C(=O)N1CCCC1.C=CC(=O)N1CCCC1.
What is the InChIKey of 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one?
The InChIKey is KGOLRNOEDCPUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C7H11NO/c1-7(2)8(10)9-5-3-4-6-9;1-2-7(9)8-5-3-4-6-8/h1,3-6H2,2H3;2H,1,3-6H2.
What are the key properties of 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one?
2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one has a molecular weight of 264.37 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 70415424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).