4-methyl-5,6,7,7a-tetrahydro-4aH-pyrrolo[3,4-b][1,4]oxazin-3-one;hydrochloride

C7H13ClN2O2 — CID 146675357

IUPAC4-methyl-5,6,7,7a-tetrahydro-4aH-pyrrolo[3,4-b][1,4]oxazin-3-one;hydrochloride
SMILESCN1C(=O)COC2CNCC21.Cl
InChIInChI=1S/C7H12N2O2.ClH/c1-9-5-2-8-3-6(5)11-4-7(9)10;/h5-6,8H,2-4H2,1H3;1H
InChIKeySIDKOQANCLHKKW-UHFFFAOYSA-N
MW192.65 g/mol
LogP-0.76
Rot. Bonds

About 4-methyl-5,6,7,7a-tetrahydro-4aH-pyrrolo[3,4-b][1,4]oxazin-3-one;hydrochloride

4-methyl-5,6,7,7a-tetrahydro-4aH-pyrrolo[3,4-b][1,4]oxazin-3-one;hydrochloride (PubChem CID 146675357) has the molecular formula C7H13ClN2O2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 4-methyl-5,6,7,7a-tetrahydro-4aH-pyrrolo[3,4-b][1,4]oxazin-3-one;hydrochloride.

Molecular Properties

Compound Name4-methyl-5,6,7,7a-tetrahydro-4aH-pyrrolo[3,4-b][1,4]oxazin-3-one;hydrochloride
PubChem CID146675357
Molecular FormulaC7H13ClN2O2
Molecular Weight192.65 g/mol
Exact Mass192.07
IUPAC Name4-methyl-5,6,7,7a-tetrahydro-4aH-pyrrolo[3,4-b][1,4]oxazin-3-one;hydrochloride
SMILESCN1C(=O)COC2CNCC21.Cl
InChIInChI=1S/C7H12N2O2.ClH/c1-9-5-2-8-3-6(5)11-4-7(9)10;/h5-6,8H,2-4H2,1H3;1H
InChIKeySIDKOQANCLHKKW-UHFFFAOYSA-N
XLogP-0.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5,6,7,7a-tetrahydro-4aH-pyrrolo[3,4-b][1,4]oxazin-3-one;hydrochloride?
The IUPAC name of 4-methyl-5,6,7,7a-tetrahydro-4aH-pyrrolo[3,4-b][1,4]oxazin-3-one;hydrochloride (CID 146675357) is 4-methyl-5,6,7,7a-tetrahydro-4aH-pyrrolo[3,4-b][1,4]oxazin-3-one;hydrochloride.
What is the SMILES notation for 4-methyl-5,6,7,7a-tetrahydro-4aH-pyrrolo[3,4-b][1,4]oxazin-3-one;hydrochloride?
The canonical SMILES for 4-methyl-5,6,7,7a-tetrahydro-4aH-pyrrolo[3,4-b][1,4]oxazin-3-one;hydrochloride is CN1C(=O)COC2CNCC21.Cl.
What is the InChIKey of 4-methyl-5,6,7,7a-tetrahydro-4aH-pyrrolo[3,4-b][1,4]oxazin-3-one;hydrochloride?
The InChIKey is SIDKOQANCLHKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2.ClH/c1-9-5-2-8-3-6(5)11-4-7(9)10;/h5-6,8H,2-4H2,1H3;1H.
What are the key properties of 4-methyl-5,6,7,7a-tetrahydro-4aH-pyrrolo[3,4-b][1,4]oxazin-3-one;hydrochloride?
4-methyl-5,6,7,7a-tetrahydro-4aH-pyrrolo[3,4-b][1,4]oxazin-3-one;hydrochloride has a molecular weight of 192.65 g/mol, XLogP of -0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,6,7,7a-tetrahydro-4aH-pyrrolo[3,4-b][1,4]oxazin-3-one;hydrochloride is sourced from PubChem (CID 146675357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).