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

C7H11NO — CID 67281670

IUPAC6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine
SMILESC1=CN2CCCC2CO1
InChIInChI=1S/C7H11NO/c1-2-7-6-9-5-4-8(7)3-1/h4-5,7H,1-3,6H2
InChIKeyDKXXVPXOZNAJBY-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.95
Rot. Bonds

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

6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine (PubChem CID 67281670) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine
PubChem CID67281670
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine
SMILESC1=CN2CCCC2CO1
InChIInChI=1S/C7H11NO/c1-2-7-6-9-5-4-8(7)3-1/h4-5,7H,1-3,6H2
InChIKeyDKXXVPXOZNAJBY-UHFFFAOYSA-N
XLogP0.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 59825166
CID 59825166
CID 73030485
CID 73030485
CID 135085645
CID 135085645
CID 59825160
CID 59825160
CID 11615180
CID 11615180

Frequently Asked Questions

What is the IUPAC name of 6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The IUPAC name of 6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine (CID 67281670) is 6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine.
What is the SMILES notation for 6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The canonical SMILES for 6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine is C1=CN2CCCC2CO1.
What is the InChIKey of 6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The InChIKey is DKXXVPXOZNAJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-7-6-9-5-4-8(7)3-1/h4-5,7H,1-3,6H2.
What are the key properties of 6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine has a molecular weight of 125.17 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine is sourced from PubChem (CID 67281670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).