(7aR)-2,2,7a-trimethyl-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol

C9H15NO2 — CID 100977671

IUPAC(7aR)-2,2,7a-trimethyl-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol
SMILESCC1(C)CN2C(O)=CC[C@@]2(C)O1
InChIInChI=1S/C9H15NO2/c1-8(2)6-10-7(11)4-5-9(10,3)12-8/h4,11H,5-6H2,1-3H3/t9-/m1/s1
InChIKeySPXVQKQYOCIQAT-SECBINFHSA-N
MW169.22 g/mol
LogP1.62
Rot. Bonds

About (7aR)-2,2,7a-trimethyl-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol

(7aR)-2,2,7a-trimethyl-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol (PubChem CID 100977671) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (7aR)-2,2,7a-trimethyl-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol.

Molecular Properties

Compound Name(7aR)-2,2,7a-trimethyl-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol
PubChem CID100977671
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(7aR)-2,2,7a-trimethyl-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol
SMILESCC1(C)CN2C(O)=CC[C@@]2(C)O1
InChIInChI=1S/C9H15NO2/c1-8(2)6-10-7(11)4-5-9(10,3)12-8/h4,11H,5-6H2,1-3H3/t9-/m1/s1
InChIKeySPXVQKQYOCIQAT-SECBINFHSA-N
XLogP1.62
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol
CID 139386487
3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol
CID 139386488
7a-Methyl-2,2-di(propan-2-yl)-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol
CID 10799229
(3S,7aR)-3,7a-dimethyl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-olate
CID 15856712
(3S,7aR)-3,7a-dimethyl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-ol
CID 15856713
CID 100977429
CID 100977429
CID 100977431
CID 100977431
(7aR)-2,2,7a-trimethyl-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-olate
CID 100977670
(3S,7aR)-7a-methyl-3-propan-2-yl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-ol
CID 101225111
lithium (7aR)-2,2,7a-trimethyl-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-olate
CID 101230594
(3R,7aS)-3-propan-2-yl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol
CID 101337695

Frequently Asked Questions

What is the IUPAC name of (7aR)-2,2,7a-trimethyl-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol?
The IUPAC name of (7aR)-2,2,7a-trimethyl-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol (CID 100977671) is (7aR)-2,2,7a-trimethyl-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol.
What is the SMILES notation for (7aR)-2,2,7a-trimethyl-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol?
The canonical SMILES for (7aR)-2,2,7a-trimethyl-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol is CC1(C)CN2C(O)=CC[C@@]2(C)O1.
What is the InChIKey of (7aR)-2,2,7a-trimethyl-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol?
The InChIKey is SPXVQKQYOCIQAT-SECBINFHSA-N. The full InChI is InChI=1S/C9H15NO2/c1-8(2)6-10-7(11)4-5-9(10,3)12-8/h4,11H,5-6H2,1-3H3/t9-/m1/s1.
What are the key properties of (7aR)-2,2,7a-trimethyl-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol?
(7aR)-2,2,7a-trimethyl-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol has a molecular weight of 169.22 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-2,2,7a-trimethyl-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol is sourced from PubChem (CID 100977671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).