(7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole

C6H11NO — CID 100962291

IUPAC(7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole
SMILESC1C[C@H]2COCN2C1
InChIInChI=1S/C6H11NO/c1-2-6-4-8-5-7(6)3-1/h6H,1-5H2/t6-/m0/s1
InChIKeyZSBBPZQTWOPHRB-LURJTMIESA-N
MW113.16 g/mol
LogP0.44
Rot. Bonds

About (7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole

(7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole (PubChem CID 100962291) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole.

Molecular Properties

Compound Name(7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole
PubChem CID100962291
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole
SMILESC1C[C@H]2COCN2C1
InChIInChI=1S/C6H11NO/c1-2-6-4-8-5-7(6)3-1/h6H,1-5H2/t6-/m0/s1
InChIKeyZSBBPZQTWOPHRB-LURJTMIESA-N
XLogP0.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7aR)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 13546481
Tetrahydro-1h-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 5326136
2-Oxapyrrolizidine
CID 59165013
(7aR)-6,6-difluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole
CID 141392307
1-fluoro-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 174851567
1-(Trifluoromethyl)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole
CID 175795738
2alpha-(Trifluoromethyl)-3,4beta-propanooxazolidine
CID 101130581
(7aS)-3-(trifluoromethyl)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole
CID 101417766
(7aS)-6,6-difluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole
CID 154359490
Tetrahydro-pyrrolo[1,2-c]oxazole-3-thione
CID 588541
5-Methyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole
CID 10725360
(7aS)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 10953515

Frequently Asked Questions

What is the IUPAC name of (7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole?
The IUPAC name of (7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole (CID 100962291) is (7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole.
What is the SMILES notation for (7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole?
The canonical SMILES for (7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole is C1C[C@H]2COCN2C1.
What is the InChIKey of (7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole?
The InChIKey is ZSBBPZQTWOPHRB-LURJTMIESA-N. The full InChI is InChI=1S/C6H11NO/c1-2-6-4-8-5-7(6)3-1/h6H,1-5H2/t6-/m0/s1.
What are the key properties of (7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole?
(7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole has a molecular weight of 113.16 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole is sourced from PubChem (CID 100962291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).