2-pent-2-enyl-5,6-dihydro-4H-1,3-oxazine

C9H15NO — CID 175495371

IUPAC2-pent-2-enyl-5,6-dihydro-4H-1,3-oxazine
SMILESCCC=CCC1=NCCCO1
InChIInChI=1S/C9H15NO/c1-2-3-4-6-9-10-7-5-8-11-9/h3-4H,2,5-8H2,1H3
InChIKeyBJHFWRXTAOIHAX-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.16
Rot. Bonds3

About 2-pent-2-enyl-5,6-dihydro-4H-1,3-oxazine

2-pent-2-enyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 175495371) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-pent-2-enyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-pent-2-enyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID175495371
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-pent-2-enyl-5,6-dihydro-4H-1,3-oxazine
SMILESCCC=CCC1=NCCCO1
InChIInChI=1S/C9H15NO/c1-2-3-4-6-9-10-7-5-8-11-9/h3-4H,2,5-8H2,1H3
InChIKeyBJHFWRXTAOIHAX-UHFFFAOYSA-N
XLogP2.16
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 175495249
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Frequently Asked Questions

What is the IUPAC name of 2-pent-2-enyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-pent-2-enyl-5,6-dihydro-4H-1,3-oxazine (CID 175495371) is 2-pent-2-enyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-pent-2-enyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-pent-2-enyl-5,6-dihydro-4H-1,3-oxazine is CCC=CCC1=NCCCO1.
What is the InChIKey of 2-pent-2-enyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is BJHFWRXTAOIHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-4-6-9-10-7-5-8-11-9/h3-4H,2,5-8H2,1H3.
What are the key properties of 2-pent-2-enyl-5,6-dihydro-4H-1,3-oxazine?
2-pent-2-enyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 153.22 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-2-enyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 175495371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).