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

C15H23NO2 — CID 22863990

IUPAC(6R)-3-cyclohexyl-6-prop-2-enyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESC=CC[C@@H]1CC2COC(C3CCCCC3)N2C1=O
InChIInChI=1S/C15H23NO2/c1-2-6-12-9-13-10-18-15(16(13)14(12)17)11-7-4-3-5-8-11/h2,11-13,15H,1,3-10H2/t12-,13?,15?/m1/s1
InChIKeyFKYUBUQZCREUPV-DNOWBOINSA-N
MW249.35 g/mol
LogP2.72
Rot. Bonds3

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

(6R)-3-cyclohexyl-6-prop-2-enyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 22863990) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (6R)-3-cyclohexyl-6-prop-2-enyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name(6R)-3-cyclohexyl-6-prop-2-enyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID22863990
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(6R)-3-cyclohexyl-6-prop-2-enyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESC=CC[C@@H]1CC2COC(C3CCCCC3)N2C1=O
InChIInChI=1S/C15H23NO2/c1-2-6-12-9-13-10-18-15(16(13)14(12)17)11-7-4-3-5-8-11/h2,11-13,15H,1,3-10H2/t12-,13?,15?/m1/s1
InChIKeyFKYUBUQZCREUPV-DNOWBOINSA-N
XLogP2.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.72
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 (6R)-3-cyclohexyl-6-prop-2-enyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of (6R)-3-cyclohexyl-6-prop-2-enyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (CID 22863990) is (6R)-3-cyclohexyl-6-prop-2-enyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for (6R)-3-cyclohexyl-6-prop-2-enyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for (6R)-3-cyclohexyl-6-prop-2-enyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is C=CC[C@@H]1CC2COC(C3CCCCC3)N2C1=O.
What is the InChIKey of (6R)-3-cyclohexyl-6-prop-2-enyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is FKYUBUQZCREUPV-DNOWBOINSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-6-12-9-13-10-18-15(16(13)14(12)17)11-7-4-3-5-8-11/h2,11-13,15H,1,3-10H2/t12-,13?,15?/m1/s1.
What are the key properties of (6R)-3-cyclohexyl-6-prop-2-enyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
(6R)-3-cyclohexyl-6-prop-2-enyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 249.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-cyclohexyl-6-prop-2-enyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 22863990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).