1-[2-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione

C16H26N2O2 — CID 125139009

IUPAC1-[2-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESC=CC[C@@H]1N(CCN2C(=O)CCC2=O)CCCC1(C)C
InChIInChI=1S/C16H26N2O2/c1-4-6-13-16(2,3)9-5-10-17(13)11-12-18-14(19)7-8-15(18)20/h4,13H,1,5-12H2,2-3H3/t13-/m0/s1
InChIKeyMIVCCADIASLIRL-ZDUSSCGKSA-N
MW278.40 g/mol
LogP2.20
Rot. Bonds5

About 1-[2-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione

1-[2-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 125139009) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID125139009
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[2-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESC=CC[C@@H]1N(CCN2C(=O)CCC2=O)CCCC1(C)C
InChIInChI=1S/C16H26N2O2/c1-4-6-13-16(2,3)9-5-10-17(13)11-12-18-14(19)7-8-15(18)20/h4,13H,1,5-12H2,2-3H3/t13-/m0/s1
InChIKeyMIVCCADIASLIRL-ZDUSSCGKSA-N
XLogP2.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 125139009) is 1-[2-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione is C=CC[C@@H]1N(CCN2C(=O)CCC2=O)CCCC1(C)C.
What is the InChIKey of 1-[2-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is MIVCCADIASLIRL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-6-13-16(2,3)9-5-10-17(13)11-12-18-14(19)7-8-15(18)20/h4,13H,1,5-12H2,2-3H3/t13-/m0/s1.
What are the key properties of 1-[2-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 278.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 125139009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).