3-prop-2-enyl-(313C)1,4-oxazinane

C7H13NO — CID 173137376

IUPAC3-prop-2-enyl-(313C)1,4-oxazinane
SMILESC=CC[13CH]1COCCN1
InChIInChI=1S/C7H13NO/c1-2-3-7-6-9-5-4-8-7/h2,7-8H,1,3-6H2/i7+1
InChIKeyONQMFQLWXIJVPR-CDYZYAPPSA-N
MW128.18 g/mol
LogP0.55
Rot. Bonds2

About 3-prop-2-enyl-(313C)1,4-oxazinane

3-prop-2-enyl-(313C)1,4-oxazinane (PubChem CID 173137376) has the molecular formula C7H13NO and a molecular weight of 128.18 g/mol. Its IUPAC name is 3-prop-2-enyl-(313C)1,4-oxazinane.

Molecular Properties

Compound Name3-prop-2-enyl-(313C)1,4-oxazinane
PubChem CID173137376
Molecular FormulaC7H13NO
Molecular Weight128.18 g/mol
Exact Mass128.10
IUPAC Name3-prop-2-enyl-(313C)1,4-oxazinane
SMILESC=CC[13CH]1COCCN1
InChIInChI=1S/C7H13NO/c1-2-3-7-6-9-5-4-8-7/h2,7-8H,1,3-6H2/i7+1
InChIKeyONQMFQLWXIJVPR-CDYZYAPPSA-N
XLogP0.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 50.55
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 3-prop-2-enyl-(313C)1,4-oxazinane?
The IUPAC name of 3-prop-2-enyl-(313C)1,4-oxazinane (CID 173137376) is 3-prop-2-enyl-(313C)1,4-oxazinane.
What is the SMILES notation for 3-prop-2-enyl-(313C)1,4-oxazinane?
The canonical SMILES for 3-prop-2-enyl-(313C)1,4-oxazinane is C=CC[13CH]1COCCN1.
What is the InChIKey of 3-prop-2-enyl-(313C)1,4-oxazinane?
The InChIKey is ONQMFQLWXIJVPR-CDYZYAPPSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-3-7-6-9-5-4-8-7/h2,7-8H,1,3-6H2/i7+1.
What are the key properties of 3-prop-2-enyl-(313C)1,4-oxazinane?
3-prop-2-enyl-(313C)1,4-oxazinane has a molecular weight of 128.18 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-(313C)1,4-oxazinane is sourced from PubChem (CID 173137376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).