5-methyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole

C7H13NO — CID 10725360

IUPAC5-methyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole
SMILESCC1CCC2OCCN12
InChIInChI=1S/C7H13NO/c1-6-2-3-7-8(6)4-5-9-7/h6-7H,2-5H2,1H3
InChIKeyMSINVEPPYPPZRB-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.83
Rot. Bonds

About 5-methyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole

5-methyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole (PubChem CID 10725360) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 5-methyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name5-methyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole
PubChem CID10725360
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name5-methyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole
SMILESCC1CCC2OCCN12
InChIInChI=1S/C7H13NO/c1-6-2-3-7-8(6)4-5-9-7/h6-7H,2-5H2,1H3
InChIKeyMSINVEPPYPPZRB-UHFFFAOYSA-N
XLogP0.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Oxapyrrolizidine
CID 14195930
2-Oxapyrrolizidine
CID 59165013
1-fluoro-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 174851567
7a-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole
CID 12730631
(7aR)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 124196310
(7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole
CID 126672187
(3S,7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole
CID 132215577
3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 134342594
(7aS)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole
CID 137395364
(3R,7aS)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole
CID 142079066
5,7-Dimethyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole
CID 148336292
(3R,7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole
CID 163917429

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole?
The IUPAC name of 5-methyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole (CID 10725360) is 5-methyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole.
What is the SMILES notation for 5-methyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole?
The canonical SMILES for 5-methyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole is CC1CCC2OCCN12.
What is the InChIKey of 5-methyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole?
The InChIKey is MSINVEPPYPPZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-2-3-7-8(6)4-5-9-7/h6-7H,2-5H2,1H3.
What are the key properties of 5-methyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole?
5-methyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole has a molecular weight of 127.19 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole is sourced from PubChem (CID 10725360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).