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

C8H13NO — CID 10236010

IUPAC2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CCCC1
InChIInChI=1S/C8H13NO/c1-7(2)8(10)9-5-3-4-6-9/h1,3-6H2,2H3
InChIKeyLVCMKNCJDCTPIB-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.18
Rot. Bonds1

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

2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one (PubChem CID 10236010) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one
PubChem CID10236010
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CCCC1
InChIInChI=1S/C8H13NO/c1-7(2)8(10)9-5-3-4-6-9/h1,3-6H2,2H3
InChIKeyLVCMKNCJDCTPIB-UHFFFAOYSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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?
The IUPAC name of 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one (CID 10236010) is 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one.
What is the SMILES notation for 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one?
The canonical SMILES for 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one is C=C(C)C(=O)N1CCCC1.
What is the InChIKey of 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one?
The InChIKey is LVCMKNCJDCTPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7(2)8(10)9-5-3-4-6-9/h1,3-6H2,2H3.
What are the key properties of 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one?
2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one has a molecular weight of 139.20 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 10236010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).