(3S,7aR)-7a-methyl-3-propan-2-yl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-ol

C10H17NO2 — CID 101225111

IUPAC(3S,7aR)-7a-methyl-3-propan-2-yl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-ol
SMILESCC(C)[C@H]1CO[C@]2(C)CC=C(O)N12
InChIInChI=1S/C10H17NO2/c1-7(2)8-6-13-10(3)5-4-9(12)11(8)10/h4,7-8,12H,5-6H2,1-3H3/t8-,10-/m1/s1
InChIKeyAWFHKLPNRZJCLL-PSASIEDQSA-N
MW183.25 g/mol
LogP1.86
Rot. Bonds1

About (3S,7aR)-7a-methyl-3-propan-2-yl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-ol

(3S,7aR)-7a-methyl-3-propan-2-yl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-ol (PubChem CID 101225111) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (3S,7aR)-7a-methyl-3-propan-2-yl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-ol.

Molecular Properties

Compound Name(3S,7aR)-7a-methyl-3-propan-2-yl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-ol
PubChem CID101225111
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(3S,7aR)-7a-methyl-3-propan-2-yl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-ol
SMILESCC(C)[C@H]1CO[C@]2(C)CC=C(O)N12
InChIInChI=1S/C10H17NO2/c1-7(2)8-6-13-10(3)5-4-9(12)11(8)10/h4,7-8,12H,5-6H2,1-3H3/t8-,10-/m1/s1
InChIKeyAWFHKLPNRZJCLL-PSASIEDQSA-N
XLogP1.86
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

lithium (7R,7aS)-7-ethyl-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-olate
CID 138976867
(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
(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
(3R,7aS)-3-methyl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol
CID 100977669
(7aR)-2,2,7a-trimethyl-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol
CID 100977671
lithium (3S,7aR)-7a-methyl-3-propan-2-yl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-olate
CID 101225110
lithium (3S,7aR)-3-propan-2-yl-2,3,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-olate
CID 101337692
(3S,7aR)-3-propan-2-yl-2,3,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-ol
CID 101337693
lithium (3R,7aS)-3-propan-2-yl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-olate
CID 101337694

Frequently Asked Questions

What is the IUPAC name of (3S,7aR)-7a-methyl-3-propan-2-yl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-ol?
The IUPAC name of (3S,7aR)-7a-methyl-3-propan-2-yl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-ol (CID 101225111) is (3S,7aR)-7a-methyl-3-propan-2-yl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-ol.
What is the SMILES notation for (3S,7aR)-7a-methyl-3-propan-2-yl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-ol?
The canonical SMILES for (3S,7aR)-7a-methyl-3-propan-2-yl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-ol is CC(C)[C@H]1CO[C@]2(C)CC=C(O)N12.
What is the InChIKey of (3S,7aR)-7a-methyl-3-propan-2-yl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-ol?
The InChIKey is AWFHKLPNRZJCLL-PSASIEDQSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(2)8-6-13-10(3)5-4-9(12)11(8)10/h4,7-8,12H,5-6H2,1-3H3/t8-,10-/m1/s1.
What are the key properties of (3S,7aR)-7a-methyl-3-propan-2-yl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-ol?
(3S,7aR)-7a-methyl-3-propan-2-yl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-ol has a molecular weight of 183.25 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7aR)-7a-methyl-3-propan-2-yl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-ol is sourced from PubChem (CID 101225111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).