3-but-2-en-2-yl-1,3-oxazolidine

C7H13NO — CID 123219435

IUPAC3-but-2-en-2-yl-1,3-oxazolidine
SMILESCC=C(C)N1CCOC1
InChIInChI=1S/C7H13NO/c1-3-7(2)8-4-5-9-6-8/h3H,4-6H2,1-2H3
InChIKeyOAUOMCABARQHDD-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.20
Rot. Bonds1

About 3-but-2-en-2-yl-1,3-oxazolidine

3-but-2-en-2-yl-1,3-oxazolidine (PubChem CID 123219435) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-but-2-en-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name3-but-2-en-2-yl-1,3-oxazolidine
PubChem CID123219435
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-but-2-en-2-yl-1,3-oxazolidine
SMILESCC=C(C)N1CCOC1
InChIInChI=1S/C7H13NO/c1-3-7(2)8-4-5-9-6-8/h3H,4-6H2,1-2H3
InChIKeyOAUOMCABARQHDD-UHFFFAOYSA-N
XLogP1.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-but-2-en-2-yl-1,3-oxazolidine?
The IUPAC name of 3-but-2-en-2-yl-1,3-oxazolidine (CID 123219435) is 3-but-2-en-2-yl-1,3-oxazolidine.
What is the SMILES notation for 3-but-2-en-2-yl-1,3-oxazolidine?
The canonical SMILES for 3-but-2-en-2-yl-1,3-oxazolidine is CC=C(C)N1CCOC1.
What is the InChIKey of 3-but-2-en-2-yl-1,3-oxazolidine?
The InChIKey is OAUOMCABARQHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-7(2)8-4-5-9-6-8/h3H,4-6H2,1-2H3.
What are the key properties of 3-but-2-en-2-yl-1,3-oxazolidine?
3-but-2-en-2-yl-1,3-oxazolidine has a molecular weight of 127.19 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-en-2-yl-1,3-oxazolidine is sourced from PubChem (CID 123219435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).