2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine

C8H15NO — CID 105428302

IUPAC2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine
SMILESC=CCC1COC(C)(C)N1
InChIInChI=1S/C8H15NO/c1-4-5-7-6-10-8(2,3)9-7/h4,7,9H,1,5-6H2,2-3H3
InChIKeyPTXSBZBDWKIODP-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.29
Rot. Bonds2

About 2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine

2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine (PubChem CID 105428302) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine.

Molecular Properties

Compound Name2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine
PubChem CID105428302
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine
SMILESC=CCC1COC(C)(C)N1
InChIInChI=1S/C8H15NO/c1-4-5-7-6-10-8(2,3)9-7/h4,7,9H,1,5-6H2,2-3H3
InChIKeyPTXSBZBDWKIODP-UHFFFAOYSA-N
XLogP1.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

5-Ethenyl-2,2-dimethyl-1,3-oxazolidine
CID 57128867
2-Methyl-2-prop-2-enyl-1,3-oxazolidine
CID 57172775
(4S)-2,2-dimethyl-4-[(E)-prop-1-enyl]-1,3-oxazolidine
CID 59984611
1-ethoxy-N-ethylpent-4-en-2-amine
CID 65670324
2,2-Bis(prop-2-enyl)-1,3-oxazolidine
CID 67095191
4-Prop-2-enyl-1,3-oxazolidine
CID 69676956
2-But-3-enyl-1,3-oxazolidine
CID 70545553
2-ethoxy-N-prop-2-enylpent-1-en-3-amine
CID 88758604
2,2-Dimethyl-4-vinyl-oxazolidine
CID 89311339
(R)-2,2-dimethyl-4-vinyloxazolidine
CID 89372239
2,2-Dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine
CID 123617138
(4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine
CID 124583499

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine?
The IUPAC name of 2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine (CID 105428302) is 2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine.
What is the SMILES notation for 2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine?
The canonical SMILES for 2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine is C=CCC1COC(C)(C)N1.
What is the InChIKey of 2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine?
The InChIKey is PTXSBZBDWKIODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-7-6-10-8(2,3)9-7/h4,7,9H,1,5-6H2,2-3H3.
What are the key properties of 2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine?
2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine has a molecular weight of 141.21 g/mol, XLogP of 1.29, 2 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-2-enyl-1,3-oxazolidine is sourced from PubChem (CID 105428302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).