(4S)-2,2-dimethyl-4-[(E)-prop-1-enyl]-1,3-oxazolidine

C8H15NO — CID 59984611

IUPAC(4S)-2,2-dimethyl-4-[(E)-prop-1-enyl]-1,3-oxazolidine
SMILESC/C=C/[C@H]1COC(C)(C)N1
InChIInChI=1S/C8H15NO/c1-4-5-7-6-10-8(2,3)9-7/h4-5,7,9H,6H2,1-3H3/b5-4+/t7-/m0/s1
InChIKeyRXPSUUNEVXXSDD-KPJROHGDSA-N
MW141.21 g/mol
LogP1.29
Rot. Bonds1

About (4S)-2,2-dimethyl-4-[(E)-prop-1-enyl]-1,3-oxazolidine

(4S)-2,2-dimethyl-4-[(E)-prop-1-enyl]-1,3-oxazolidine (PubChem CID 59984611) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-[(E)-prop-1-enyl]-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-[(E)-prop-1-enyl]-1,3-oxazolidine
PubChem CID59984611
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(4S)-2,2-dimethyl-4-[(E)-prop-1-enyl]-1,3-oxazolidine
SMILESC/C=C/[C@H]1COC(C)(C)N1
InChIInChI=1S/C8H15NO/c1-4-5-7-6-10-8(2,3)9-7/h4-5,7,9H,6H2,1-3H3/b5-4+/t7-/m0/s1
InChIKeyRXPSUUNEVXXSDD-KPJROHGDSA-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-Methyl-2-prop-2-enyl-1,3-oxazolidine
CID 57172775
2,2-Dimethyl-4-vinyl-oxazolidine
CID 89311339
(R)-2,2-dimethyl-4-vinyloxazolidine
CID 89372239
N-(2,3-dihydrofuran-5-ylmethyl)propan-2-amine
CID 102651561
(4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine
CID 124583499
(4S)-4-ethenyl-1,3-oxazolidine
CID 151415179
(4S)-4-[(E)-2-cyclopropylethenyl]-2,2-dimethyl-1,3-oxazolidine
CID 172746832
4-Prop-1-enyl-1,3-oxazolidine
CID 174386132
(2R)-2-(methoxymethyl)-2,5-dihydro-1H-pyrrole
CID 174452405
1-(2,3-dihydrofuran-5-yl)-N-ethylethanamine
CID 102651296
2,2-Dimethyl-4-prop-2-enyl-1,3-oxazolidine
CID 105428302
2-(methoxymethyl)-2,5-dihydro-1H-pyrrole
CID 130507449

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-4-[(E)-prop-1-enyl]-1,3-oxazolidine?
The IUPAC name of (4S)-2,2-dimethyl-4-[(E)-prop-1-enyl]-1,3-oxazolidine (CID 59984611) is (4S)-2,2-dimethyl-4-[(E)-prop-1-enyl]-1,3-oxazolidine.
What is the SMILES notation for (4S)-2,2-dimethyl-4-[(E)-prop-1-enyl]-1,3-oxazolidine?
The canonical SMILES for (4S)-2,2-dimethyl-4-[(E)-prop-1-enyl]-1,3-oxazolidine is C/C=C/[C@H]1COC(C)(C)N1.
What is the InChIKey of (4S)-2,2-dimethyl-4-[(E)-prop-1-enyl]-1,3-oxazolidine?
The InChIKey is RXPSUUNEVXXSDD-KPJROHGDSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-7-6-10-8(2,3)9-7/h4-5,7,9H,6H2,1-3H3/b5-4+/t7-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-4-[(E)-prop-1-enyl]-1,3-oxazolidine?
(4S)-2,2-dimethyl-4-[(E)-prop-1-enyl]-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 (4S)-2,2-dimethyl-4-[(E)-prop-1-enyl]-1,3-oxazolidine is sourced from PubChem (CID 59984611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).