(5Z)-5-(3,3-dimethylbutylidene)-3-methyl-1,3-oxazolidin-2-one

C10H17NO2 — CID 102228196

IUPAC(5Z)-5-(3,3-dimethylbutylidene)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C/C(=C/CC(C)(C)C)OC1=O
InChIInChI=1S/C10H17NO2/c1-10(2,3)6-5-8-7-11(4)9(12)13-8/h5H,6-7H2,1-4H3/b8-5-
InChIKeyJYBJWBFBQYNVKG-YVMONPNESA-N
MW183.25 g/mol
LogP2.39
Rot. Bonds1

About (5Z)-5-(3,3-dimethylbutylidene)-3-methyl-1,3-oxazolidin-2-one

(5Z)-5-(3,3-dimethylbutylidene)-3-methyl-1,3-oxazolidin-2-one (PubChem CID 102228196) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (5Z)-5-(3,3-dimethylbutylidene)-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-(3,3-dimethylbutylidene)-3-methyl-1,3-oxazolidin-2-one
PubChem CID102228196
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(5Z)-5-(3,3-dimethylbutylidene)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C/C(=C/CC(C)(C)C)OC1=O
InChIInChI=1S/C10H17NO2/c1-10(2,3)6-5-8-7-11(4)9(12)13-8/h5H,6-7H2,1-4H3/b8-5-
InChIKeyJYBJWBFBQYNVKG-YVMONPNESA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5Z)-5-(3,3-dimethylbutylidene)-3-methyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(3,3-dimethylbutylidene)-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5Z)-5-(3,3-dimethylbutylidene)-3-methyl-1,3-oxazolidin-2-one (CID 102228196) is (5Z)-5-(3,3-dimethylbutylidene)-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5Z)-5-(3,3-dimethylbutylidene)-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5Z)-5-(3,3-dimethylbutylidene)-3-methyl-1,3-oxazolidin-2-one is CN1C/C(=C/CC(C)(C)C)OC1=O.
What is the InChIKey of (5Z)-5-(3,3-dimethylbutylidene)-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is JYBJWBFBQYNVKG-YVMONPNESA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2,3)6-5-8-7-11(4)9(12)13-8/h5H,6-7H2,1-4H3/b8-5-.
What are the key properties of (5Z)-5-(3,3-dimethylbutylidene)-3-methyl-1,3-oxazolidin-2-one?
(5Z)-5-(3,3-dimethylbutylidene)-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(3,3-dimethylbutylidene)-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 102228196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).