3-cyclohexyl-6,6-bis(prop-2-enyl)-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

C18H27NO2 — CID 23360064

IUPAC3-cyclohexyl-6,6-bis(prop-2-enyl)-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESC=CCC1(CC=C)CC2COC(C3CCCCC3)N2C1=O
InChIInChI=1S/C18H27NO2/c1-3-10-18(11-4-2)12-15-13-21-16(19(15)17(18)20)14-8-6-5-7-9-14/h3-4,14-16H,1-2,5-13H2
InChIKeyYNZUCOZQTDUOEY-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.66
Rot. Bonds5

About 3-cyclohexyl-6,6-bis(prop-2-enyl)-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

3-cyclohexyl-6,6-bis(prop-2-enyl)-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 23360064) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-cyclohexyl-6,6-bis(prop-2-enyl)-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name3-cyclohexyl-6,6-bis(prop-2-enyl)-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID23360064
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-cyclohexyl-6,6-bis(prop-2-enyl)-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESC=CCC1(CC=C)CC2COC(C3CCCCC3)N2C1=O
InChIInChI=1S/C18H27NO2/c1-3-10-18(11-4-2)12-15-13-21-16(19(15)17(18)20)14-8-6-5-7-9-14/h3-4,14-16H,1-2,5-13H2
InChIKeyYNZUCOZQTDUOEY-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6,6-bis(prop-2-enyl)-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of 3-cyclohexyl-6,6-bis(prop-2-enyl)-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (CID 23360064) is 3-cyclohexyl-6,6-bis(prop-2-enyl)-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for 3-cyclohexyl-6,6-bis(prop-2-enyl)-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for 3-cyclohexyl-6,6-bis(prop-2-enyl)-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is C=CCC1(CC=C)CC2COC(C3CCCCC3)N2C1=O.
What is the InChIKey of 3-cyclohexyl-6,6-bis(prop-2-enyl)-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is YNZUCOZQTDUOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-10-18(11-4-2)12-15-13-21-16(19(15)17(18)20)14-8-6-5-7-9-14/h3-4,14-16H,1-2,5-13H2.
What are the key properties of 3-cyclohexyl-6,6-bis(prop-2-enyl)-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
3-cyclohexyl-6,6-bis(prop-2-enyl)-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 289.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6,6-bis(prop-2-enyl)-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 23360064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).