1-[3-(dimethylamino)propyl]-3-(4,5,5,7,7-pentamethyl-2-methylideneoctyl)pyrrolidine-2,5-dione

C23H42N2O2 — CID 134549324

IUPAC1-[3-(dimethylamino)propyl]-3-(4,5,5,7,7-pentamethyl-2-methylideneoctyl)pyrrolidine-2,5-dione
SMILESC=C(CC1CC(=O)N(CCCN(C)C)C1=O)CC(C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C23H42N2O2/c1-17(13-18(2)23(6,7)16-22(3,4)5)14-19-15-20(26)25(21(19)27)12-10-11-24(8)9/h18-19H,1,10-16H2,2-9H3
InChIKeyZRUDKFAUVYMICY-UHFFFAOYSA-N
MW378.60 g/mol
LogP4.75
Rot. Bonds10

About 1-[3-(dimethylamino)propyl]-3-(4,5,5,7,7-pentamethyl-2-methylideneoctyl)pyrrolidine-2,5-dione

1-[3-(dimethylamino)propyl]-3-(4,5,5,7,7-pentamethyl-2-methylideneoctyl)pyrrolidine-2,5-dione (PubChem CID 134549324) has the molecular formula C23H42N2O2 and a molecular weight of 378.60 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-(4,5,5,7,7-pentamethyl-2-methylideneoctyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-(4,5,5,7,7-pentamethyl-2-methylideneoctyl)pyrrolidine-2,5-dione
PubChem CID134549324
Molecular FormulaC23H42N2O2
Molecular Weight378.60 g/mol
Exact Mass378.32
IUPAC Name1-[3-(dimethylamino)propyl]-3-(4,5,5,7,7-pentamethyl-2-methylideneoctyl)pyrrolidine-2,5-dione
SMILESC=C(CC1CC(=O)N(CCCN(C)C)C1=O)CC(C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C23H42N2O2/c1-17(13-18(2)23(6,7)16-22(3,4)5)14-19-15-20(26)25(21(19)27)12-10-11-24(8)9/h18-19H,1,10-16H2,2-9H3
InChIKeyZRUDKFAUVYMICY-UHFFFAOYSA-N
XLogP4.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.60
LogP ≤ 54.75
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-(1,3-Diketo-4,6-dimethyl-3a,4,7,7a-tetrahydroisoindol-2-yl)propyl-trimethyl-ammonium;iodide
CID 646693
3-(5,5-dimethyl-1,3-dioxo-1,3,3a,4,5,6,7,8,9,9a-decahydro-2H-benzo[f]isoindol-2-yl)-N,N,N-trimethylpropan-1-aminium
CID 3790028
(2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dipyrrolidin-1-ylheptane-1,7-dione
CID 101105681
2-[3-(dimethylamino)propyl]-5,5-dimethyl-3a,4,5,6,7,8,9,9a-octahydro-1H-benzo[f]isoindole-1,3(2H)-dione
CID 2880196
3-Cyclododecyl-1-dec-9-enylpyrrolidine-2,5-dione
CID 20565251
1-[3-(Dimethylamino)propyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
CID 58041336
1-Methyl-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione
CID 59263699
1-[3-(Dimethylamino)propyl]-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione
CID 59263703
3-Oct-1-en-3-yl-1-propylpyrrolidine-2,5-dione
CID 68012919
1-[3-(Dimethylamino)propyl]-3-(4,4,5,5,7,7,8,8-octamethyl-2-methylidenenonyl)pyrrolidine-2,5-dione
CID 68026228
1-Ethyl-3-hexyl-4-methylidenepyrrolidine-2,5-dione
CID 68406887
1-[3-(Dimethylamino)propyl]-3-dodec-3-enylpyrrolidine-2,5-dione
CID 68542123

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-(4,5,5,7,7-pentamethyl-2-methylideneoctyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-(4,5,5,7,7-pentamethyl-2-methylideneoctyl)pyrrolidine-2,5-dione (CID 134549324) is 1-[3-(dimethylamino)propyl]-3-(4,5,5,7,7-pentamethyl-2-methylideneoctyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-(4,5,5,7,7-pentamethyl-2-methylideneoctyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-(4,5,5,7,7-pentamethyl-2-methylideneoctyl)pyrrolidine-2,5-dione is C=C(CC1CC(=O)N(CCCN(C)C)C1=O)CC(C)C(C)(C)CC(C)(C)C.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-(4,5,5,7,7-pentamethyl-2-methylideneoctyl)pyrrolidine-2,5-dione?
The InChIKey is ZRUDKFAUVYMICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O2/c1-17(13-18(2)23(6,7)16-22(3,4)5)14-19-15-20(26)25(21(19)27)12-10-11-24(8)9/h18-19H,1,10-16H2,2-9H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-3-(4,5,5,7,7-pentamethyl-2-methylideneoctyl)pyrrolidine-2,5-dione?
1-[3-(dimethylamino)propyl]-3-(4,5,5,7,7-pentamethyl-2-methylideneoctyl)pyrrolidine-2,5-dione has a molecular weight of 378.60 g/mol, XLogP of 4.75, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-(4,5,5,7,7-pentamethyl-2-methylideneoctyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 134549324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).