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

C16H25NO2 — CID 22863989

IUPAC(6R)-3-cyclohexyl-6-methyl-6-prop-2-enyl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESC=CC[C@]1(C)CC2COC(C3CCCCC3)N2C1=O
InChIInChI=1S/C16H25NO2/c1-3-9-16(2)10-13-11-19-14(17(13)15(16)18)12-7-5-4-6-8-12/h3,12-14H,1,4-11H2,2H3/t13?,14?,16-/m1/s1
InChIKeyPLTVRBNDYFOBTB-ZBCRRDGASA-N
MW263.38 g/mol
LogP3.11
Rot. Bonds3

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

(6R)-3-cyclohexyl-6-methyl-6-prop-2-enyl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 22863989) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (6R)-3-cyclohexyl-6-methyl-6-prop-2-enyl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name(6R)-3-cyclohexyl-6-methyl-6-prop-2-enyl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID22863989
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(6R)-3-cyclohexyl-6-methyl-6-prop-2-enyl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESC=CC[C@]1(C)CC2COC(C3CCCCC3)N2C1=O
InChIInChI=1S/C16H25NO2/c1-3-9-16(2)10-13-11-19-14(17(13)15(16)18)12-7-5-4-6-8-12/h3,12-14H,1,4-11H2,2H3/t13?,14?,16-/m1/s1
InChIKeyPLTVRBNDYFOBTB-ZBCRRDGASA-N
XLogP3.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.11
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-methyl-6-prop-2-enyl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of (6R)-3-cyclohexyl-6-methyl-6-prop-2-enyl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (CID 22863989) is (6R)-3-cyclohexyl-6-methyl-6-prop-2-enyl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for (6R)-3-cyclohexyl-6-methyl-6-prop-2-enyl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for (6R)-3-cyclohexyl-6-methyl-6-prop-2-enyl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is C=CC[C@]1(C)CC2COC(C3CCCCC3)N2C1=O.
What is the InChIKey of (6R)-3-cyclohexyl-6-methyl-6-prop-2-enyl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is PLTVRBNDYFOBTB-ZBCRRDGASA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-9-16(2)10-13-11-19-14(17(13)15(16)18)12-7-5-4-6-8-12/h3,12-14H,1,4-11H2,2H3/t13?,14?,16-/m1/s1.
What are the key properties of (6R)-3-cyclohexyl-6-methyl-6-prop-2-enyl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
(6R)-3-cyclohexyl-6-methyl-6-prop-2-enyl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 263.38 g/mol, XLogP of 3.11, 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-methyl-6-prop-2-enyl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 22863989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).