4-methyl-1,3-oxazinane

C5H11NO — CID 19874185

IUPAC4-methyl-1,3-oxazinane
SMILESCC1CCOCN1
InChIInChI=1S/C5H11NO/c1-5-2-3-7-4-6-5/h5-6H,2-4H2,1H3
InChIKeyDERHCVDZYDOLNE-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.34
Rot. Bonds

About 4-methyl-1,3-oxazinane

4-methyl-1,3-oxazinane (PubChem CID 19874185) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 4-methyl-1,3-oxazinane.

Molecular Properties

Compound Name4-methyl-1,3-oxazinane
PubChem CID19874185
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name4-methyl-1,3-oxazinane
SMILESCC1CCOCN1
InChIInChI=1S/C5H11NO/c1-5-2-3-7-4-6-5/h5-6H,2-4H2,1H3
InChIKeyDERHCVDZYDOLNE-UHFFFAOYSA-N
XLogP0.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-oxazinane?
The IUPAC name of 4-methyl-1,3-oxazinane (CID 19874185) is 4-methyl-1,3-oxazinane.
What is the SMILES notation for 4-methyl-1,3-oxazinane?
The canonical SMILES for 4-methyl-1,3-oxazinane is CC1CCOCN1.
What is the InChIKey of 4-methyl-1,3-oxazinane?
The InChIKey is DERHCVDZYDOLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-5-2-3-7-4-6-5/h5-6H,2-4H2,1H3.
What are the key properties of 4-methyl-1,3-oxazinane?
4-methyl-1,3-oxazinane has a molecular weight of 101.15 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-oxazinane is sourced from PubChem (CID 19874185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).