4-propan-2-yl-5,6-dihydro-2H-1,3-oxazine

C7H13NO — CID 22898647

IUPAC4-propan-2-yl-5,6-dihydro-2H-1,3-oxazine
SMILESCC(C)C1=NCOCC1
InChIInChI=1S/C7H13NO/c1-6(2)7-3-4-9-5-8-7/h6H,3-5H2,1-2H3
InChIKeyBPMNOADLFZNMRR-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.46
Rot. Bonds1

About 4-propan-2-yl-5,6-dihydro-2H-1,3-oxazine

4-propan-2-yl-5,6-dihydro-2H-1,3-oxazine (PubChem CID 22898647) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-propan-2-yl-5,6-dihydro-2H-1,3-oxazine.

Molecular Properties

Compound Name4-propan-2-yl-5,6-dihydro-2H-1,3-oxazine
PubChem CID22898647
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4-propan-2-yl-5,6-dihydro-2H-1,3-oxazine
SMILESCC(C)C1=NCOCC1
InChIInChI=1S/C7H13NO/c1-6(2)7-3-4-9-5-8-7/h6H,3-5H2,1-2H3
InChIKeyBPMNOADLFZNMRR-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Propan-2-yl-5,6-dihydro-1,3-oxazin-2-one
CID 58655418
N-methyl-1-(oxan-4-yl)ethanimine
CID 123881183
4,5,6-trimethyl-5,6-dihydro-2H-1,3-oxazine
CID 146774870

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5,6-dihydro-2H-1,3-oxazine?
The IUPAC name of 4-propan-2-yl-5,6-dihydro-2H-1,3-oxazine (CID 22898647) is 4-propan-2-yl-5,6-dihydro-2H-1,3-oxazine.
What is the SMILES notation for 4-propan-2-yl-5,6-dihydro-2H-1,3-oxazine?
The canonical SMILES for 4-propan-2-yl-5,6-dihydro-2H-1,3-oxazine is CC(C)C1=NCOCC1.
What is the InChIKey of 4-propan-2-yl-5,6-dihydro-2H-1,3-oxazine?
The InChIKey is BPMNOADLFZNMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(2)7-3-4-9-5-8-7/h6H,3-5H2,1-2H3.
What are the key properties of 4-propan-2-yl-5,6-dihydro-2H-1,3-oxazine?
4-propan-2-yl-5,6-dihydro-2H-1,3-oxazine has a molecular weight of 127.19 g/mol, XLogP of 1.46, 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-5,6-dihydro-2H-1,3-oxazine is sourced from PubChem (CID 22898647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).