(8aS)-4-methyl-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine

C8H13NO — CID 11615180

IUPAC(8aS)-4-methyl-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine
SMILESCC1=COC[C@@H]2CCCN12
InChIInChI=1S/C8H13NO/c1-7-5-10-6-8-3-2-4-9(7)8/h5,8H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyFEQQXQHSTUKPCD-QMMMGPOBSA-N
MW139.20 g/mol
LogP1.34
Rot. Bonds

About (8aS)-4-methyl-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine

(8aS)-4-methyl-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine (PubChem CID 11615180) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (8aS)-4-methyl-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name(8aS)-4-methyl-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine
PubChem CID11615180
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(8aS)-4-methyl-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine
SMILESCC1=COC[C@@H]2CCCN12
InChIInChI=1S/C8H13NO/c1-7-5-10-6-8-3-2-4-9(7)8/h5,8H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyFEQQXQHSTUKPCD-QMMMGPOBSA-N
XLogP1.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aS)-4-methyl-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The IUPAC name of (8aS)-4-methyl-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine (CID 11615180) is (8aS)-4-methyl-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine.
What is the SMILES notation for (8aS)-4-methyl-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The canonical SMILES for (8aS)-4-methyl-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine is CC1=COC[C@@H]2CCCN12.
What is the InChIKey of (8aS)-4-methyl-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The InChIKey is FEQQXQHSTUKPCD-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13NO/c1-7-5-10-6-8-3-2-4-9(7)8/h5,8H,2-4,6H2,1H3/t8-/m0/s1.
What are the key properties of (8aS)-4-methyl-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
(8aS)-4-methyl-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine has a molecular weight of 139.20 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-4-methyl-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine is sourced from PubChem (CID 11615180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).