(3S,4S)-3-cyclohexyl-1-phenyl-4-prop-2-enylpyrrolidine-2,5-dione

C19H23NO2 — CID 101425755

IUPAC(3S,4S)-3-cyclohexyl-1-phenyl-4-prop-2-enylpyrrolidine-2,5-dione
SMILESC=CC[C@@H]1C(=O)N(c2ccccc2)C(=O)[C@H]1C1CCCCC1
InChIInChI=1S/C19H23NO2/c1-2-9-16-17(14-10-5-3-6-11-14)19(22)20(18(16)21)15-12-7-4-8-13-15/h2,4,7-8,12-14,16-17H,1,3,5-6,9-11H2/t16-,17-/m0/s1
InChIKeyRJSQZZVMYKZUDY-IRXDYDNUSA-N
MW297.40 g/mol
LogP3.95
Rot. Bonds4

About (3S,4S)-3-cyclohexyl-1-phenyl-4-prop-2-enylpyrrolidine-2,5-dione

(3S,4S)-3-cyclohexyl-1-phenyl-4-prop-2-enylpyrrolidine-2,5-dione (PubChem CID 101425755) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (3S,4S)-3-cyclohexyl-1-phenyl-4-prop-2-enylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S,4S)-3-cyclohexyl-1-phenyl-4-prop-2-enylpyrrolidine-2,5-dione
PubChem CID101425755
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(3S,4S)-3-cyclohexyl-1-phenyl-4-prop-2-enylpyrrolidine-2,5-dione
SMILESC=CC[C@@H]1C(=O)N(c2ccccc2)C(=O)[C@H]1C1CCCCC1
InChIInChI=1S/C19H23NO2/c1-2-9-16-17(14-10-5-3-6-11-14)19(22)20(18(16)21)15-12-7-4-8-13-15/h2,4,7-8,12-14,16-17H,1,3,5-6,9-11H2/t16-,17-/m0/s1
InChIKeyRJSQZZVMYKZUDY-IRXDYDNUSA-N
XLogP3.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 548819
(1S,2S,6R,7R)-4-phenyl-4-azatetracyclo[13.6.0.02,6.07,14]henicos-14-ene-3,5-dione
CID 22296712
(3aS,4S,6R,6aR)-6-ethenyl-2-phenyl-4-[(Z)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 162435839
3,4-diethyl-1-phenylpyrrolidine-2,5-dione
CID 20609571
(3aR,4S,7S,7aS)-2,4,7-triphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 100871293
16-phenyl-16-azatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-15,17-dione
CID 102335192
(1R,2R,6S,7R,8R,11R)-4-phenyl-4-azatetracyclo[5.4.2.02,6.08,11]tridec-9-ene-3,5-dione
CID 98518522
4-cyclohexyl-1-phenylpyrazolidine-3,5-dione
CID 3041629
(15R,19R)-17-[4-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 51463995
17-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 5192921
(1R,2R,6R,7S)-4-phenyl-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone
CID 98343423
(1S,5R)-3-phenyl-3-azabicyclo[3.3.1]nonane-2,4-dione
CID 101481235

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-cyclohexyl-1-phenyl-4-prop-2-enylpyrrolidine-2,5-dione?
The IUPAC name of (3S,4S)-3-cyclohexyl-1-phenyl-4-prop-2-enylpyrrolidine-2,5-dione (CID 101425755) is (3S,4S)-3-cyclohexyl-1-phenyl-4-prop-2-enylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S,4S)-3-cyclohexyl-1-phenyl-4-prop-2-enylpyrrolidine-2,5-dione?
The canonical SMILES for (3S,4S)-3-cyclohexyl-1-phenyl-4-prop-2-enylpyrrolidine-2,5-dione is C=CC[C@@H]1C(=O)N(c2ccccc2)C(=O)[C@H]1C1CCCCC1.
What is the InChIKey of (3S,4S)-3-cyclohexyl-1-phenyl-4-prop-2-enylpyrrolidine-2,5-dione?
The InChIKey is RJSQZZVMYKZUDY-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H23NO2/c1-2-9-16-17(14-10-5-3-6-11-14)19(22)20(18(16)21)15-12-7-4-8-13-15/h2,4,7-8,12-14,16-17H,1,3,5-6,9-11H2/t16-,17-/m0/s1.
What are the key properties of (3S,4S)-3-cyclohexyl-1-phenyl-4-prop-2-enylpyrrolidine-2,5-dione?
(3S,4S)-3-cyclohexyl-1-phenyl-4-prop-2-enylpyrrolidine-2,5-dione has a molecular weight of 297.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-cyclohexyl-1-phenyl-4-prop-2-enylpyrrolidine-2,5-dione is sourced from PubChem (CID 101425755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).