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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Related Compounds

3-Methyl-1-[3-(4-prop-2-enylpiperazin-1-yl)hex-5-enyl]pyrrolidine-2,5-dione
CID 69719035
(3aR,7aS)-2-[(2R)-1-[(6S)-2-azaspiro[5.5]undec-9-en-2-yl]-4-methyl-1-oxopentan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 99808086
(3aR,7aS)-2-[(2R)-1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-4-methyl-1-oxopentan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 99808088
(3aS,7aS)-2-[(2R)-1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-4-methyl-1-oxopentan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 100629782
2-[1-(2-Azaspiro[5.5]undec-9-en-2-yl)-4-methyl-1-oxopentan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 102557222
1-[2-(3,3-Dimethyl-2-prop-2-enylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 122150824
(3aR,7aR)-2-[(2R)-1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-4-methyl-1-oxopentan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 124859027
1-[2-[(2R)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 125139008
1-[2-(2,6-Dimethylpiperidin-1-yl)ethyl]-4-ethenylpyrrolidin-2-one
CID 168683442
4-Ethenyl-1-[2-(2-methylpiperidin-1-yl)ethyl]pyrrolidin-2-one
CID 168683594
4-Ethenyl-1-[2-(2-ethylpiperidin-1-yl)ethyl]pyrrolidin-2-one
CID 168683613

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).