4,4-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine

C8H15NO — CID 141033258

IUPAC4,4-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine
SMILESC=C(C)C1NC(C)(C)CO1
InChIInChI=1S/C8H15NO/c1-6(2)7-9-8(3,4)5-10-7/h7,9H,1,5H2,2-4H3
InChIKeyKJFZXVYNXYYNDK-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.29
Rot. Bonds1

About 4,4-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine

4,4-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine (PubChem CID 141033258) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4,4-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name4,4-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine
PubChem CID141033258
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4,4-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine
SMILESC=C(C)C1NC(C)(C)CO1
InChIInChI=1S/C8H15NO/c1-6(2)7-9-8(3,4)5-10-7/h7,9H,1,5H2,2-4H3
InChIKeyKJFZXVYNXYYNDK-UHFFFAOYSA-N
XLogP1.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Ethoxyvinyl)-4,4-dimethyloxazolidine
CID 85991390
2-(1-Methoxyvinyl)-4,4-dimethyloxazolidine
CID 85991398
4,4-Dimethyl-2-(prop-1-en-2-yl)oxazolidin-5-one
CID 45086667
2-Prop-1-en-2-yl-1,3-oxazolidine
CID 54277332
4-Methyl-2-prop-1-en-2-yl-1,3-oxazolidine
CID 68827199
4-Ethyl-2-prop-1-en-2-yl-1,3-oxazolidine
CID 68827316
5-Ethyl-2-prop-1-en-2-yl-1,3-oxazolidine
CID 68827407
4,5-Dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine
CID 68827780
2-Ethenyl-4-ethyl-1,3-oxazolidine
CID 68829416
5-Methyl-2-prop-1-en-2-yl-1,3-oxazolidine
CID 68830433
2-Ethenyl-4-methyl-1,3-oxazolidine
CID 68831810
2-Tert-butyl-4-methylidene-1,3-oxazolidine
CID 170416242

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine?
The IUPAC name of 4,4-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine (CID 141033258) is 4,4-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine.
What is the SMILES notation for 4,4-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine?
The canonical SMILES for 4,4-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine is C=C(C)C1NC(C)(C)CO1.
What is the InChIKey of 4,4-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine?
The InChIKey is KJFZXVYNXYYNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)7-9-8(3,4)5-10-7/h7,9H,1,5H2,2-4H3.
What are the key properties of 4,4-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine?
4,4-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine has a molecular weight of 141.21 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine is sourced from PubChem (CID 141033258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).