7-hydroxy-6-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one

C7H11NO3 — CID 14222495

IUPAC7-hydroxy-6-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
SMILESCC1CN2C(=O)OCC2C1O
InChIInChI=1S/C7H11NO3/c1-4-2-8-5(6(4)9)3-11-7(8)10/h4-6,9H,2-3H2,1H3
InChIKeyDVGUPMGXECWMIA-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.18
Rot. Bonds

About 7-hydroxy-6-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one

7-hydroxy-6-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one (PubChem CID 14222495) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 7-hydroxy-6-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one.

Molecular Properties

Compound Name7-hydroxy-6-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
PubChem CID14222495
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name7-hydroxy-6-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
SMILESCC1CN2C(=O)OCC2C1O
InChIInChI=1S/C7H11NO3/c1-4-2-8-5(6(4)9)3-11-7(8)10/h4-6,9H,2-3H2,1H3
InChIKeyDVGUPMGXECWMIA-UHFFFAOYSA-N
XLogP-0.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-hydroxy-6-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 68627445
CID 68627445
CID 25209244
CID 25209244
CID 68629408
CID 68629408
CID 89082579
CID 89082579
CID 76322098
CID 76322098
CID 11367159
CID 11367159
CID 124666499
CID 124666499
CID 494883
CID 494883
CID 11969905
CID 11969905
CID 130857708
CID 130857708
CID 10997143
CID 10997143
CID 57941252
CID 57941252

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
The IUPAC name of 7-hydroxy-6-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one (CID 14222495) is 7-hydroxy-6-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one.
What is the SMILES notation for 7-hydroxy-6-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
The canonical SMILES for 7-hydroxy-6-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one is CC1CN2C(=O)OCC2C1O.
What is the InChIKey of 7-hydroxy-6-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
The InChIKey is DVGUPMGXECWMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4-2-8-5(6(4)9)3-11-7(8)10/h4-6,9H,2-3H2,1H3.
What are the key properties of 7-hydroxy-6-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
7-hydroxy-6-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one has a molecular weight of 157.17 g/mol, XLogP of -0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one is sourced from PubChem (CID 14222495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).