3-methylidene-1-nonylpyrrolidine-2,5-dione

C14H23NO2 — CID 512825

IUPAC3-methylidene-1-nonylpyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(CCCCCCCCC)C1=O
InChIInChI=1S/C14H23NO2/c1-3-4-5-6-7-8-9-10-15-13(16)11-12(2)14(15)17/h2-11H2,1H3
InChIKeyCDHQRMCLVYDCDA-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.05
Rot. Bonds8

About 3-methylidene-1-nonylpyrrolidine-2,5-dione

3-methylidene-1-nonylpyrrolidine-2,5-dione (PubChem CID 512825) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-methylidene-1-nonylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methylidene-1-nonylpyrrolidine-2,5-dione
PubChem CID512825
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-methylidene-1-nonylpyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(CCCCCCCCC)C1=O
InChIInChI=1S/C14H23NO2/c1-3-4-5-6-7-8-9-10-15-13(16)11-12(2)14(15)17/h2-11H2,1H3
InChIKeyCDHQRMCLVYDCDA-UHFFFAOYSA-N
XLogP3.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-nonylpyrrolidine-2,5-dione?
The IUPAC name of 3-methylidene-1-nonylpyrrolidine-2,5-dione (CID 512825) is 3-methylidene-1-nonylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-methylidene-1-nonylpyrrolidine-2,5-dione?
The canonical SMILES for 3-methylidene-1-nonylpyrrolidine-2,5-dione is C=C1CC(=O)N(CCCCCCCCC)C1=O.
What is the InChIKey of 3-methylidene-1-nonylpyrrolidine-2,5-dione?
The InChIKey is CDHQRMCLVYDCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-4-5-6-7-8-9-10-15-13(16)11-12(2)14(15)17/h2-11H2,1H3.
What are the key properties of 3-methylidene-1-nonylpyrrolidine-2,5-dione?
3-methylidene-1-nonylpyrrolidine-2,5-dione has a molecular weight of 237.34 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-nonylpyrrolidine-2,5-dione is sourced from PubChem (CID 512825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).