2-propan-2-yl-5,6-dihydrooxazine

C7H13NO — CID 171037588

IUPAC2-propan-2-yl-5,6-dihydrooxazine
SMILESCC(C)N1C=CCCO1
InChIInChI=1S/C7H13NO/c1-7(2)8-5-3-4-6-9-8/h3,5,7H,4,6H2,1-2H3
InChIKeyMVYOXBSESPDJBK-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.55
Rot. Bonds1

About 2-propan-2-yl-5,6-dihydrooxazine

2-propan-2-yl-5,6-dihydrooxazine (PubChem CID 171037588) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-propan-2-yl-5,6-dihydrooxazine.

Molecular Properties

Compound Name2-propan-2-yl-5,6-dihydrooxazine
PubChem CID171037588
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-propan-2-yl-5,6-dihydrooxazine
SMILESCC(C)N1C=CCCO1
InChIInChI=1S/C7H13NO/c1-7(2)8-5-3-4-6-9-8/h3,5,7H,4,6H2,1-2H3
InChIKeyMVYOXBSESPDJBK-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,6-dihydrooxazine?
The IUPAC name of 2-propan-2-yl-5,6-dihydrooxazine (CID 171037588) is 2-propan-2-yl-5,6-dihydrooxazine.
What is the SMILES notation for 2-propan-2-yl-5,6-dihydrooxazine?
The canonical SMILES for 2-propan-2-yl-5,6-dihydrooxazine is CC(C)N1C=CCCO1.
What is the InChIKey of 2-propan-2-yl-5,6-dihydrooxazine?
The InChIKey is MVYOXBSESPDJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-7(2)8-5-3-4-6-9-8/h3,5,7H,4,6H2,1-2H3.
What are the key properties of 2-propan-2-yl-5,6-dihydrooxazine?
2-propan-2-yl-5,6-dihydrooxazine has a molecular weight of 127.19 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,6-dihydrooxazine is sourced from PubChem (CID 171037588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).