4-(anilinomethylidene)-2,2,5,5-tetramethyloxolan-3-one

C15H19NO2 — CID 53447585

IUPAC4-(anilinomethylidene)-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(C)(C)C(=CNc2ccccc2)C1=O
InChIInChI=1S/C15H19NO2/c1-14(2)12(13(17)15(3,4)18-14)10-16-11-8-6-5-7-9-11/h5-10,16H,1-4H3
InChIKeyJOPRLBICQSSFEI-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.14
Rot. Bonds2

About 4-(anilinomethylidene)-2,2,5,5-tetramethyloxolan-3-one

4-(anilinomethylidene)-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 53447585) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-(anilinomethylidene)-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-(anilinomethylidene)-2,2,5,5-tetramethyloxolan-3-one
PubChem CID53447585
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-(anilinomethylidene)-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(C)(C)C(=CNc2ccccc2)C1=O
InChIInChI=1S/C15H19NO2/c1-14(2)12(13(17)15(3,4)18-14)10-16-11-8-6-5-7-9-11/h5-10,16H,1-4H3
InChIKeyJOPRLBICQSSFEI-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(anilinomethylidene)-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-(anilinomethylidene)-2,2,5,5-tetramethyloxolan-3-one (CID 53447585) is 4-(anilinomethylidene)-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-(anilinomethylidene)-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-(anilinomethylidene)-2,2,5,5-tetramethyloxolan-3-one is CC1(C)OC(C)(C)C(=CNc2ccccc2)C1=O.
What is the InChIKey of 4-(anilinomethylidene)-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is JOPRLBICQSSFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-14(2)12(13(17)15(3,4)18-14)10-16-11-8-6-5-7-9-11/h5-10,16H,1-4H3.
What are the key properties of 4-(anilinomethylidene)-2,2,5,5-tetramethyloxolan-3-one?
4-(anilinomethylidene)-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 245.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(anilinomethylidene)-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 53447585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).