3-propan-2-yl-5,6-dihydro-4H-oxazine

C7H13NO — CID 58473781

IUPAC3-propan-2-yl-5,6-dihydro-4H-oxazine
SMILESCC(C)C1=NOCCC1
InChIInChI=1S/C7H13NO/c1-6(2)7-4-3-5-9-8-7/h6H,3-5H2,1-2H3
InChIKeyHMHVCHJDTSRHEK-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.81
Rot. Bonds1

About 3-propan-2-yl-5,6-dihydro-4H-oxazine

3-propan-2-yl-5,6-dihydro-4H-oxazine (PubChem CID 58473781) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-propan-2-yl-5,6-dihydro-4H-oxazine.

Molecular Properties

Compound Name3-propan-2-yl-5,6-dihydro-4H-oxazine
PubChem CID58473781
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-propan-2-yl-5,6-dihydro-4H-oxazine
SMILESCC(C)C1=NOCCC1
InChIInChI=1S/C7H13NO/c1-6(2)7-4-3-5-9-8-7/h6H,3-5H2,1-2H3
InChIKeyHMHVCHJDTSRHEK-UHFFFAOYSA-N
XLogP1.81
TPSA21.59 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 ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5,6-dihydro-4H-oxazine?
The IUPAC name of 3-propan-2-yl-5,6-dihydro-4H-oxazine (CID 58473781) is 3-propan-2-yl-5,6-dihydro-4H-oxazine.
What is the SMILES notation for 3-propan-2-yl-5,6-dihydro-4H-oxazine?
The canonical SMILES for 3-propan-2-yl-5,6-dihydro-4H-oxazine is CC(C)C1=NOCCC1.
What is the InChIKey of 3-propan-2-yl-5,6-dihydro-4H-oxazine?
The InChIKey is HMHVCHJDTSRHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(2)7-4-3-5-9-8-7/h6H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-5,6-dihydro-4H-oxazine?
3-propan-2-yl-5,6-dihydro-4H-oxazine has a molecular weight of 127.19 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5,6-dihydro-4H-oxazine is sourced from PubChem (CID 58473781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).