(3aS,6aS)-5-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole

C8H14N2O — CID 133143470

IUPAC(3aS,6aS)-5-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole
SMILESC=CCN1C[C@@H]2CON[C@@H]2C1
InChIInChI=1S/C8H14N2O/c1-2-3-10-4-7-6-11-9-8(7)5-10/h2,7-9H,1,3-6H2/t7-,8-/m1/s1
InChIKeyRBTYBSIBXMDICD-HTQZYQBOSA-N
MW154.21 g/mol
LogP0.01
Rot. Bonds2

About (3aS,6aS)-5-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole

(3aS,6aS)-5-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole (PubChem CID 133143470) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (3aS,6aS)-5-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole.

Molecular Properties

Compound Name(3aS,6aS)-5-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole
PubChem CID133143470
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(3aS,6aS)-5-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole
SMILESC=CCN1C[C@@H]2CON[C@@H]2C1
InChIInChI=1S/C8H14N2O/c1-2-3-10-4-7-6-11-9-8(7)5-10/h2,7-9H,1,3-6H2/t7-,8-/m1/s1
InChIKeyRBTYBSIBXMDICD-HTQZYQBOSA-N
XLogP0.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4aS,7aS)-6-prop-2-enyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682841
2-prop-2-enyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 118017653
1-prop-2-enylpyrrolidine-3,4-diol
CID 72779960
5-prop-2-enyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 131065642
2,4,6-tris(prop-2-enyl)morpholine
CID 118117986
(3R,4R,5R,6R)-1,4,5-tris(prop-2-enyl)azepane-3,4,5,6-tetrol
CID 67641746
4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 66486601
3-methyl-7-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane
CID 70507723
(4-cyclopropyl-1-prop-2-enylpyrrolidin-3-yl)methanol
CID 22624487
3-prop-2-enyl-1,5,3-dioxazepane
CID 15582181
3-phenyl-1-prop-2-enylazetidine
CID 23632
5-(difluoromethyl)-1-prop-2-enylpiperidin-3-ol
CID 126716020

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-5-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole?
The IUPAC name of (3aS,6aS)-5-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole (CID 133143470) is (3aS,6aS)-5-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole.
What is the SMILES notation for (3aS,6aS)-5-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole?
The canonical SMILES for (3aS,6aS)-5-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole is C=CCN1C[C@@H]2CON[C@@H]2C1.
What is the InChIKey of (3aS,6aS)-5-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole?
The InChIKey is RBTYBSIBXMDICD-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-3-10-4-7-6-11-9-8(7)5-10/h2,7-9H,1,3-6H2/t7-,8-/m1/s1.
What are the key properties of (3aS,6aS)-5-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole?
(3aS,6aS)-5-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole has a molecular weight of 154.21 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-5-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole is sourced from PubChem (CID 133143470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).