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

C8H15NO — CID 123617138

IUPAC2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine
SMILESC=C(C)C1COC(C)(C)N1
InChIInChI=1S/C8H15NO/c1-6(2)7-5-10-8(3,4)9-7/h7,9H,1,5H2,2-4H3
InChIKeyKKUMVHDNGSLGEX-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.29
Rot. Bonds1

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

2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine (PubChem CID 123617138) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine
PubChem CID123617138
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine
SMILESC=C(C)C1COC(C)(C)N1
InChIInChI=1S/C8H15NO/c1-6(2)7-5-10-8(3,4)9-7/h7,9H,1,5H2,2-4H3
InChIKeyKKUMVHDNGSLGEX-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'}

Analyze 2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine with MolForge

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

Launch Full Analysis

Related Compounds

4-Ethyl-2-prop-1-en-2-yl-1,3-oxazolidine
CID 68827316
4,5-Dimethyl-2-prop-1-en-2-yl-1,3-oxazolidine
CID 68827780
N-(2-methylidenebutyl)oxolan-3-amine
CID 80712888
2,2-Dimethyl-4-vinyl-oxazolidine
CID 89311339
(R)-2,2-dimethyl-4-vinyloxazolidine
CID 89372239
(4S)-2,2,3-trimethyl-4-prop-1-en-2-yl-1,3-oxazolidine
CID 117945325
(4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine
CID 124583499
(4S)-3-iodo-2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine
CID 129035101
2-(2-Methylprop-2-enyl)-1,3-oxazolidine
CID 140355787
(4R)-2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine
CID 144558600
(3R)-N-(2-methylprop-2-enyl)oxolan-3-amine
CID 163433163
2-Methyl-4-prop-1-en-2-yl-1,3-oxazolidine
CID 163479643

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine?
The IUPAC name of 2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine (CID 123617138) is 2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine.
What is the SMILES notation for 2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine?
The canonical SMILES for 2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine is C=C(C)C1COC(C)(C)N1.
What is the InChIKey of 2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine?
The InChIKey is KKUMVHDNGSLGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)7-5-10-8(3,4)9-7/h7,9H,1,5H2,2-4H3.
What are the key properties of 2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine?
2,2-dimethyl-4-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 2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine is sourced from PubChem (CID 123617138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).