(6S)-3-cyclohexyl-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

C13H21NO2 — CID 22863992

IUPAC(6S)-3-cyclohexyl-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESC[C@H]1CC2COC(C3CCCCC3)N2C1=O
InChIInChI=1S/C13H21NO2/c1-9-7-11-8-16-13(14(11)12(9)15)10-5-3-2-4-6-10/h9-11,13H,2-8H2,1H3/t9-,11?,13?/m0/s1
InChIKeyFOCOCBWAKXOSKQ-FJJSSXBZSA-N
MW223.32 g/mol
LogP2.16
Rot. Bonds1

About (6S)-3-cyclohexyl-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

(6S)-3-cyclohexyl-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 22863992) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (6S)-3-cyclohexyl-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name(6S)-3-cyclohexyl-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID22863992
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(6S)-3-cyclohexyl-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESC[C@H]1CC2COC(C3CCCCC3)N2C1=O
InChIInChI=1S/C13H21NO2/c1-9-7-11-8-16-13(14(11)12(9)15)10-5-3-2-4-6-10/h9-11,13H,2-8H2,1H3/t9-,11?,13?/m0/s1
InChIKeyFOCOCBWAKXOSKQ-FJJSSXBZSA-N
XLogP2.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-3-cyclohexyl-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of (6S)-3-cyclohexyl-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (CID 22863992) is (6S)-3-cyclohexyl-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for (6S)-3-cyclohexyl-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for (6S)-3-cyclohexyl-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is C[C@H]1CC2COC(C3CCCCC3)N2C1=O.
What is the InChIKey of (6S)-3-cyclohexyl-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is FOCOCBWAKXOSKQ-FJJSSXBZSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9-7-11-8-16-13(14(11)12(9)15)10-5-3-2-4-6-10/h9-11,13H,2-8H2,1H3/t9-,11?,13?/m0/s1.
What are the key properties of (6S)-3-cyclohexyl-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
(6S)-3-cyclohexyl-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 223.32 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-cyclohexyl-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 22863992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).