3-methyloxazinane

C5H11NO — CID 12730633

IUPAC3-methyloxazinane
SMILESCC1CCCON1
InChIInChI=1S/C5H11NO/c1-5-3-2-4-7-6-5/h5-6H,2-4H2,1H3
InChIKeySTEOOLNAVUWNRX-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.69
Rot. Bonds

About 3-methyloxazinane

3-methyloxazinane (PubChem CID 12730633) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 3-methyloxazinane.

Molecular Properties

Compound Name3-methyloxazinane
PubChem CID12730633
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name3-methyloxazinane
SMILESCC1CCCON1
InChIInChI=1S/C5H11NO/c1-5-3-2-4-7-6-5/h5-6H,2-4H2,1H3
InChIKeySTEOOLNAVUWNRX-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methyloxazinane?
The IUPAC name of 3-methyloxazinane (CID 12730633) is 3-methyloxazinane.
What is the SMILES notation for 3-methyloxazinane?
The canonical SMILES for 3-methyloxazinane is CC1CCCON1.
What is the InChIKey of 3-methyloxazinane?
The InChIKey is STEOOLNAVUWNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-5-3-2-4-7-6-5/h5-6H,2-4H2,1H3.
What are the key properties of 3-methyloxazinane?
3-methyloxazinane has a molecular weight of 101.15 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyloxazinane is sourced from PubChem (CID 12730633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).