2H-oxazine;2H-pyran

C9H11NO2 — CID 157407679

IUPAC2H-oxazine;2H-pyran
SMILESC1=CCOC=C1.C1=CNOC=C1
InChIInChI=1S/C5H6O.C4H5NO/c2*1-2-4-6-5-3-1/h1-4H,5H2;1-5H
InChIKeyBNXLEXJONJWWAG-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.64
Rot. Bonds

About 2H-oxazine;2H-pyran

2H-oxazine;2H-pyran (PubChem CID 157407679) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2H-oxazine;2H-pyran.

Molecular Properties

Compound Name2H-oxazine;2H-pyran
PubChem CID157407679
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2H-oxazine;2H-pyran
SMILESC1=CCOC=C1.C1=CNOC=C1
InChIInChI=1S/C5H6O.C4H5NO/c2*1-2-4-6-5-3-1/h1-4H,5H2;1-5H
InChIKeyBNXLEXJONJWWAG-UHFFFAOYSA-N
XLogP1.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1Z,3E)-3-ethoxyhexa-1,3,5-trienyl]-hydroxyazanium
CID 144703328
N-[(1Z,3E)-3-ethoxyhexa-1,3,5-trienyl]hydroxylamine
CID 144703329

Frequently Asked Questions

What is the IUPAC name of 2H-oxazine;2H-pyran?
The IUPAC name of 2H-oxazine;2H-pyran (CID 157407679) is 2H-oxazine;2H-pyran.
What is the SMILES notation for 2H-oxazine;2H-pyran?
The canonical SMILES for 2H-oxazine;2H-pyran is C1=CCOC=C1.C1=CNOC=C1.
What is the InChIKey of 2H-oxazine;2H-pyran?
The InChIKey is BNXLEXJONJWWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O.C4H5NO/c2*1-2-4-6-5-3-1/h1-4H,5H2;1-5H.
What are the key properties of 2H-oxazine;2H-pyran?
2H-oxazine;2H-pyran has a molecular weight of 165.19 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-oxazine;2H-pyran is sourced from PubChem (CID 157407679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).