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

C9H15NO2 — CID 102228194

IUPAC(5Z)-3-methyl-5-(3-methylbutylidene)-1,3-oxazolidin-2-one
SMILESCC(C)C/C=C1/CN(C)C(=O)O1
InChIInChI=1S/C9H15NO2/c1-7(2)4-5-8-6-10(3)9(11)12-8/h5,7H,4,6H2,1-3H3/b8-5-
InChIKeyYKAXHMJBJXQERY-YVMONPNESA-N
MW169.22 g/mol
LogP2.00
Rot. Bonds2

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

(5Z)-3-methyl-5-(3-methylbutylidene)-1,3-oxazolidin-2-one (PubChem CID 102228194) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (5Z)-3-methyl-5-(3-methylbutylidene)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5Z)-3-methyl-5-(3-methylbutylidene)-1,3-oxazolidin-2-one
PubChem CID102228194
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(5Z)-3-methyl-5-(3-methylbutylidene)-1,3-oxazolidin-2-one
SMILESCC(C)C/C=C1/CN(C)C(=O)O1
InChIInChI=1S/C9H15NO2/c1-7(2)4-5-8-6-10(3)9(11)12-8/h5,7H,4,6H2,1-3H3/b8-5-
InChIKeyYKAXHMJBJXQERY-YVMONPNESA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5Z)-3-methyl-5-(3-methylbutylidene)-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)-3-methyl-5-(3-methylbutylidene)-1,3-oxazolidin-2-one?
The IUPAC name of (5Z)-3-methyl-5-(3-methylbutylidene)-1,3-oxazolidin-2-one (CID 102228194) is (5Z)-3-methyl-5-(3-methylbutylidene)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5Z)-3-methyl-5-(3-methylbutylidene)-1,3-oxazolidin-2-one?
The canonical SMILES for (5Z)-3-methyl-5-(3-methylbutylidene)-1,3-oxazolidin-2-one is CC(C)C/C=C1/CN(C)C(=O)O1.
What is the InChIKey of (5Z)-3-methyl-5-(3-methylbutylidene)-1,3-oxazolidin-2-one?
The InChIKey is YKAXHMJBJXQERY-YVMONPNESA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(2)4-5-8-6-10(3)9(11)12-8/h5,7H,4,6H2,1-3H3/b8-5-.
What are the key properties of (5Z)-3-methyl-5-(3-methylbutylidene)-1,3-oxazolidin-2-one?
(5Z)-3-methyl-5-(3-methylbutylidene)-1,3-oxazolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methyl-5-(3-methylbutylidene)-1,3-oxazolidin-2-one is sourced from PubChem (CID 102228194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).