4-but-2-enylidene-3-methyl-5-(2-methylpentylidene)-1,3-oxazolidin-2-one

C14H21NO2 — CID 123947762

IUPAC4-but-2-enylidene-3-methyl-5-(2-methylpentylidene)-1,3-oxazolidin-2-one
SMILESCC=CC=c1c(=CC(C)CCC)oc(=O)n1C
InChIInChI=1S/C14H21NO2/c1-5-7-9-12-13(10-11(3)8-6-2)17-14(16)15(12)4/h5,7,9-11H,6,8H2,1-4H3
InChIKeyALHRQKGKZQARBO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.55
Rot. Bonds4

About 4-but-2-enylidene-3-methyl-5-(2-methylpentylidene)-1,3-oxazolidin-2-one

4-but-2-enylidene-3-methyl-5-(2-methylpentylidene)-1,3-oxazolidin-2-one (PubChem CID 123947762) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-but-2-enylidene-3-methyl-5-(2-methylpentylidene)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-but-2-enylidene-3-methyl-5-(2-methylpentylidene)-1,3-oxazolidin-2-one
PubChem CID123947762
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-but-2-enylidene-3-methyl-5-(2-methylpentylidene)-1,3-oxazolidin-2-one
SMILESCC=CC=c1c(=CC(C)CCC)oc(=O)n1C
InChIInChI=1S/C14H21NO2/c1-5-7-9-12-13(10-11(3)8-6-2)17-14(16)15(12)4/h5,7,9-11H,6,8H2,1-4H3
InChIKeyALHRQKGKZQARBO-UHFFFAOYSA-N
XLogP1.55
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-but-2-enylidene-3-methyl-5-(2-methylpentylidene)-1,3-oxazolidin-2-one?
The IUPAC name of 4-but-2-enylidene-3-methyl-5-(2-methylpentylidene)-1,3-oxazolidin-2-one (CID 123947762) is 4-but-2-enylidene-3-methyl-5-(2-methylpentylidene)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-but-2-enylidene-3-methyl-5-(2-methylpentylidene)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-but-2-enylidene-3-methyl-5-(2-methylpentylidene)-1,3-oxazolidin-2-one is CC=CC=c1c(=CC(C)CCC)oc(=O)n1C.
What is the InChIKey of 4-but-2-enylidene-3-methyl-5-(2-methylpentylidene)-1,3-oxazolidin-2-one?
The InChIKey is ALHRQKGKZQARBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-7-9-12-13(10-11(3)8-6-2)17-14(16)15(12)4/h5,7,9-11H,6,8H2,1-4H3.
What are the key properties of 4-but-2-enylidene-3-methyl-5-(2-methylpentylidene)-1,3-oxazolidin-2-one?
4-but-2-enylidene-3-methyl-5-(2-methylpentylidene)-1,3-oxazolidin-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-enylidene-3-methyl-5-(2-methylpentylidene)-1,3-oxazolidin-2-one is sourced from PubChem (CID 123947762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).