4-decyl-5-methylidenepyrrolidin-2-one

C15H27NO — CID 89358223

IUPAC4-decyl-5-methylidenepyrrolidin-2-one
SMILESC=C1NC(=O)CC1CCCCCCCCCC
InChIInChI=1S/C15H27NO/c1-3-4-5-6-7-8-9-10-11-14-12-15(17)16-13(14)2/h14H,2-12H2,1H3,(H,16,17)
InChIKeyTWUZSOHXBLHPRX-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.17
Rot. Bonds9

About 4-decyl-5-methylidenepyrrolidin-2-one

4-decyl-5-methylidenepyrrolidin-2-one (PubChem CID 89358223) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-decyl-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name4-decyl-5-methylidenepyrrolidin-2-one
PubChem CID89358223
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name4-decyl-5-methylidenepyrrolidin-2-one
SMILESC=C1NC(=O)CC1CCCCCCCCCC
InChIInChI=1S/C15H27NO/c1-3-4-5-6-7-8-9-10-11-14-12-15(17)16-13(14)2/h14H,2-12H2,1H3,(H,16,17)
InChIKeyTWUZSOHXBLHPRX-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-decyl-5-methylidenepyrrolidin-2-one?
The IUPAC name of 4-decyl-5-methylidenepyrrolidin-2-one (CID 89358223) is 4-decyl-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for 4-decyl-5-methylidenepyrrolidin-2-one?
The canonical SMILES for 4-decyl-5-methylidenepyrrolidin-2-one is C=C1NC(=O)CC1CCCCCCCCCC.
What is the InChIKey of 4-decyl-5-methylidenepyrrolidin-2-one?
The InChIKey is TWUZSOHXBLHPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-4-5-6-7-8-9-10-11-14-12-15(17)16-13(14)2/h14H,2-12H2,1H3,(H,16,17).
What are the key properties of 4-decyl-5-methylidenepyrrolidin-2-one?
4-decyl-5-methylidenepyrrolidin-2-one has a molecular weight of 237.39 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decyl-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 89358223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).