1-(hydroxymethyl)-3-methylidene-5-pentylpyrrolidin-2-one

C11H19NO2 — CID 71414840

IUPAC1-(hydroxymethyl)-3-methylidene-5-pentylpyrrolidin-2-one
SMILESC=C1CC(CCCCC)N(CO)C1=O
InChIInChI=1S/C11H19NO2/c1-3-4-5-6-10-7-9(2)11(14)12(10)8-13/h10,13H,2-8H2,1H3
InChIKeyBFAIGMKFWQREKG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.67
Rot. Bonds5

About 1-(hydroxymethyl)-3-methylidene-5-pentylpyrrolidin-2-one

1-(hydroxymethyl)-3-methylidene-5-pentylpyrrolidin-2-one (PubChem CID 71414840) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(hydroxymethyl)-3-methylidene-5-pentylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(hydroxymethyl)-3-methylidene-5-pentylpyrrolidin-2-one
PubChem CID71414840
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(hydroxymethyl)-3-methylidene-5-pentylpyrrolidin-2-one
SMILESC=C1CC(CCCCC)N(CO)C1=O
InChIInChI=1S/C11H19NO2/c1-3-4-5-6-10-7-9(2)11(14)12(10)8-13/h10,13H,2-8H2,1H3
InChIKeyBFAIGMKFWQREKG-UHFFFAOYSA-N
XLogP1.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-3-methylidene-5-pentylpyrrolidin-2-one?
The IUPAC name of 1-(hydroxymethyl)-3-methylidene-5-pentylpyrrolidin-2-one (CID 71414840) is 1-(hydroxymethyl)-3-methylidene-5-pentylpyrrolidin-2-one.
What is the SMILES notation for 1-(hydroxymethyl)-3-methylidene-5-pentylpyrrolidin-2-one?
The canonical SMILES for 1-(hydroxymethyl)-3-methylidene-5-pentylpyrrolidin-2-one is C=C1CC(CCCCC)N(CO)C1=O.
What is the InChIKey of 1-(hydroxymethyl)-3-methylidene-5-pentylpyrrolidin-2-one?
The InChIKey is BFAIGMKFWQREKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-4-5-6-10-7-9(2)11(14)12(10)8-13/h10,13H,2-8H2,1H3.
What are the key properties of 1-(hydroxymethyl)-3-methylidene-5-pentylpyrrolidin-2-one?
1-(hydroxymethyl)-3-methylidene-5-pentylpyrrolidin-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-3-methylidene-5-pentylpyrrolidin-2-one is sourced from PubChem (CID 71414840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).