4-propan-2-yl-2,3-dihydro-1,4-oxazine

C7H13NO — CID 20597168

IUPAC4-propan-2-yl-2,3-dihydro-1,4-oxazine
SMILESCC(C)N1C=COCC1
InChIInChI=1S/C7H13NO/c1-7(2)8-3-5-9-6-4-8/h3,5,7H,4,6H2,1-2H3
InChIKeyPHLQYTIBZNLMIM-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.20
Rot. Bonds1

About 4-propan-2-yl-2,3-dihydro-1,4-oxazine

4-propan-2-yl-2,3-dihydro-1,4-oxazine (PubChem CID 20597168) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-propan-2-yl-2,3-dihydro-1,4-oxazine.

Molecular Properties

Compound Name4-propan-2-yl-2,3-dihydro-1,4-oxazine
PubChem CID20597168
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4-propan-2-yl-2,3-dihydro-1,4-oxazine
SMILESCC(C)N1C=COCC1
InChIInChI=1S/C7H13NO/c1-7(2)8-3-5-9-6-4-8/h3,5,7H,4,6H2,1-2H3
InChIKeyPHLQYTIBZNLMIM-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 4-propan-2-yl-2,3-dihydro-1,4-oxazine?
The IUPAC name of 4-propan-2-yl-2,3-dihydro-1,4-oxazine (CID 20597168) is 4-propan-2-yl-2,3-dihydro-1,4-oxazine.
What is the SMILES notation for 4-propan-2-yl-2,3-dihydro-1,4-oxazine?
The canonical SMILES for 4-propan-2-yl-2,3-dihydro-1,4-oxazine is CC(C)N1C=COCC1.
What is the InChIKey of 4-propan-2-yl-2,3-dihydro-1,4-oxazine?
The InChIKey is PHLQYTIBZNLMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-7(2)8-3-5-9-6-4-8/h3,5,7H,4,6H2,1-2H3.
What are the key properties of 4-propan-2-yl-2,3-dihydro-1,4-oxazine?
4-propan-2-yl-2,3-dihydro-1,4-oxazine 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 4-propan-2-yl-2,3-dihydro-1,4-oxazine is sourced from PubChem (CID 20597168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).