3-Isopropyl-7a-methyltetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-one

C10H17NO2 — CID 495124

IUPAC7a-methyl-3-propan-2-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
SMILESCC(C)C1COC2(N1C(=O)CC2)C
InChIInChI=1S/C10H17NO2/c1-7(2)8-6-13-10(3)5-4-9(12)11(8)10/h7-8H,4-6H2,1-3H3
InChIKeyNUUDVADIQSLTCN-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds1

About 3-Isopropyl-7a-methyltetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-one

3-Isopropyl-7a-methyltetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-one (PubChem CID 495124) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 7a-methyl-3-propan-2-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one.

Molecular Properties

Compound Name3-Isopropyl-7a-methyltetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-one
PubChem CID495124
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name7a-methyl-3-propan-2-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
SMILESCC(C)C1COC2(N1C(=O)CC2)C
InChIInChI=1S/C10H17NO2/c1-7(2)8-6-13-10(3)5-4-9(12)11(8)10/h7-8H,4-6H2,1-3H3
InChIKeyNUUDVADIQSLTCN-UHFFFAOYSA-N
XLogP1.20
TPSA29.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity239

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-Isopropyl-7a-methyltetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-one?
The IUPAC name of 3-Isopropyl-7a-methyltetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-one (CID 495124) is 7a-methyl-3-propan-2-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one.
What is the SMILES notation for 3-Isopropyl-7a-methyltetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-one?
The canonical SMILES for 3-Isopropyl-7a-methyltetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-one is CC(C)C1COC2(N1C(=O)CC2)C.
What is the InChIKey of 3-Isopropyl-7a-methyltetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-one?
The InChIKey is NUUDVADIQSLTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(2)8-6-13-10(3)5-4-9(12)11(8)10/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-Isopropyl-7a-methyltetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-one?
3-Isopropyl-7a-methyltetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-one has a molecular weight of 183.25 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Isopropyl-7a-methyltetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-one is sourced from PubChem (CID 495124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).