[(3aS,6aS)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazol-5-yl]-cyclopent-3-en-1-ylmethanone

C11H16N2O2 — CID 97377692

IUPAC[(3aS,6aS)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazol-5-yl]-cyclopent-3-en-1-ylmethanone
SMILESO=C(C1CC=CC1)N1C[C@@H]2CON[C@@H]2C1
InChIInChI=1S/C11H16N2O2/c14-11(8-3-1-2-4-8)13-5-9-7-15-12-10(9)6-13/h1-2,8-10,12H,3-7H2/t9-,10-/m1/s1
InChIKeyZKFAPQIUTBAEOJ-NXEZZACHSA-N
MW208.26 g/mol
LogP0.31
Rot. Bonds1

About [(3aS,6aS)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazol-5-yl]-cyclopent-3-en-1-ylmethanone

[(3aS,6aS)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazol-5-yl]-cyclopent-3-en-1-ylmethanone (PubChem CID 97377692) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is [(3aS,6aS)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazol-5-yl]-cyclopent-3-en-1-ylmethanone.

Molecular Properties

Compound Name[(3aS,6aS)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazol-5-yl]-cyclopent-3-en-1-ylmethanone
PubChem CID97377692
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name[(3aS,6aS)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazol-5-yl]-cyclopent-3-en-1-ylmethanone
SMILESO=C(C1CC=CC1)N1C[C@@H]2CON[C@@H]2C1
InChIInChI=1S/C11H16N2O2/c14-11(8-3-1-2-4-8)13-5-9-7-15-12-10(9)6-13/h1-2,8-10,12H,3-7H2/t9-,10-/m1/s1
InChIKeyZKFAPQIUTBAEOJ-NXEZZACHSA-N
XLogP0.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(3aS,6aS)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazol-5-yl]-cyclopent-3-en-1-ylmethanone 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

[(3aR,6aR)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazol-5-yl]-cyclopent-3-en-1-ylmethanone
CID 97377695
1-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazol-5-yl]-2-methylpropan-1-one
CID 97403222
1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazol-5-yl-(4-methylphenyl)methanone
CID 131648663
4-(cyclopent-3-ene-1-carbonyl)piperazine-2,6-dione
CID 66082955
cyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104974832
[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-cyclopropylmethanone
CID 70649001
cyclopent-3-en-1-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208885
cyclopent-3-en-1-yl-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 129371278
3-bicyclo[3.1.0]hexanyl-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671271
[(3aR,4S,6aS)-5-(furan-3-carbonyl)-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopent-3-en-1-ylmethanone
CID 170506012
[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-(oxan-3-yl)methanone
CID 62760319
1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid
CID 64767255

Frequently Asked Questions

What is the IUPAC name of [(3aS,6aS)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazol-5-yl]-cyclopent-3-en-1-ylmethanone?
The IUPAC name of [(3aS,6aS)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazol-5-yl]-cyclopent-3-en-1-ylmethanone (CID 97377692) is [(3aS,6aS)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazol-5-yl]-cyclopent-3-en-1-ylmethanone.
What is the SMILES notation for [(3aS,6aS)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazol-5-yl]-cyclopent-3-en-1-ylmethanone?
The canonical SMILES for [(3aS,6aS)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazol-5-yl]-cyclopent-3-en-1-ylmethanone is O=C(C1CC=CC1)N1C[C@@H]2CON[C@@H]2C1.
What is the InChIKey of [(3aS,6aS)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazol-5-yl]-cyclopent-3-en-1-ylmethanone?
The InChIKey is ZKFAPQIUTBAEOJ-NXEZZACHSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-11(8-3-1-2-4-8)13-5-9-7-15-12-10(9)6-13/h1-2,8-10,12H,3-7H2/t9-,10-/m1/s1.
What are the key properties of [(3aS,6aS)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazol-5-yl]-cyclopent-3-en-1-ylmethanone?
[(3aS,6aS)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazol-5-yl]-cyclopent-3-en-1-ylmethanone has a molecular weight of 208.26 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aS)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazol-5-yl]-cyclopent-3-en-1-ylmethanone is sourced from PubChem (CID 97377692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).