2-[(E)-hept-3-en-3-yl]-1,3-oxazolidine

C10H19NO — CID 22766671

IUPAC2-[(E)-hept-3-en-3-yl]-1,3-oxazolidine
SMILESCCC/C=C(\CC)C1NCCO1
InChIInChI=1S/C10H19NO/c1-3-5-6-9(4-2)10-11-7-8-12-10/h6,10-11H,3-5,7-8H2,1-2H3/b9-6+
InChIKeyFXNDVVQSJZBJFG-RMKNXTFCSA-N
MW169.27 g/mol
LogP2.07
Rot. Bonds4

About 2-[(E)-hept-3-en-3-yl]-1,3-oxazolidine

2-[(E)-hept-3-en-3-yl]-1,3-oxazolidine (PubChem CID 22766671) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[(E)-hept-3-en-3-yl]-1,3-oxazolidine.

Molecular Properties

Compound Name2-[(E)-hept-3-en-3-yl]-1,3-oxazolidine
PubChem CID22766671
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-[(E)-hept-3-en-3-yl]-1,3-oxazolidine
SMILESCCC/C=C(\CC)C1NCCO1
InChIInChI=1S/C10H19NO/c1-3-5-6-9(4-2)10-11-7-8-12-10/h6,10-11H,3-5,7-8H2,1-2H3/b9-6+
InChIKeyFXNDVVQSJZBJFG-RMKNXTFCSA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hept-3-en-3-yl]-1,3-oxazolidine?
The IUPAC name of 2-[(E)-hept-3-en-3-yl]-1,3-oxazolidine (CID 22766671) is 2-[(E)-hept-3-en-3-yl]-1,3-oxazolidine.
What is the SMILES notation for 2-[(E)-hept-3-en-3-yl]-1,3-oxazolidine?
The canonical SMILES for 2-[(E)-hept-3-en-3-yl]-1,3-oxazolidine is CCC/C=C(\CC)C1NCCO1.
What is the InChIKey of 2-[(E)-hept-3-en-3-yl]-1,3-oxazolidine?
The InChIKey is FXNDVVQSJZBJFG-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-5-6-9(4-2)10-11-7-8-12-10/h6,10-11H,3-5,7-8H2,1-2H3/b9-6+.
What are the key properties of 2-[(E)-hept-3-en-3-yl]-1,3-oxazolidine?
2-[(E)-hept-3-en-3-yl]-1,3-oxazolidine has a molecular weight of 169.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hept-3-en-3-yl]-1,3-oxazolidine is sourced from PubChem (CID 22766671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).