1-hexyl-3-methylidenepyrrolidine-2,5-dione

C11H17NO2 — CID 139782842

IUPAC1-hexyl-3-methylidenepyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(CCCCCC)C1=O
InChIInChI=1S/C11H17NO2/c1-3-4-5-6-7-12-10(13)8-9(2)11(12)14/h2-8H2,1H3
InChIKeyZZVVHBARXNUOFL-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.88
Rot. Bonds5

About 1-hexyl-3-methylidenepyrrolidine-2,5-dione

1-hexyl-3-methylidenepyrrolidine-2,5-dione (PubChem CID 139782842) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-hexyl-3-methylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-hexyl-3-methylidenepyrrolidine-2,5-dione
PubChem CID139782842
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-hexyl-3-methylidenepyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(CCCCCC)C1=O
InChIInChI=1S/C11H17NO2/c1-3-4-5-6-7-12-10(13)8-9(2)11(12)14/h2-8H2,1H3
InChIKeyZZVVHBARXNUOFL-UHFFFAOYSA-N
XLogP1.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-3-methylidenepyrrolidin-2-one
CID 10844354
1-(2-Methylacryloyl)pyrrolidin-2-one
CID 21867967
2,5-Pyrrolidinedione, 1-(2-methyl-2-propenyl)-
CID 1910855
N-allylitaconimide
CID 89137080
(3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidine-2,5-dione
CID 155351023
3-Methylene-1-nonylpyrrolidine-2,5-dione
CID 512825
3-Methylene-1-octylpyrrolidine-2,5-dione
CID 512827
1-Methyl-3-methylidenepyrrolidine-2,5-dione
CID 13230836
(3E)-1-methyl-3-(piperidin-1-ylmethylidene)pyrrolidine-2,5-dione
CID 5888566
1-(3-Methylbut-3-en-1-yl)pyrrolidine-2,5-dione
CID 12395844
N~1~,N~1~,N~4~,N~4~-Tetraethyl-2-methylidenebutanediamide
CID 12430267
1-Butyl-3-methylidenepyrrolidin-2-one
CID 14356465

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-methylidenepyrrolidine-2,5-dione?
The IUPAC name of 1-hexyl-3-methylidenepyrrolidine-2,5-dione (CID 139782842) is 1-hexyl-3-methylidenepyrrolidine-2,5-dione.
What is the SMILES notation for 1-hexyl-3-methylidenepyrrolidine-2,5-dione?
The canonical SMILES for 1-hexyl-3-methylidenepyrrolidine-2,5-dione is C=C1CC(=O)N(CCCCCC)C1=O.
What is the InChIKey of 1-hexyl-3-methylidenepyrrolidine-2,5-dione?
The InChIKey is ZZVVHBARXNUOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-4-5-6-7-12-10(13)8-9(2)11(12)14/h2-8H2,1H3.
What are the key properties of 1-hexyl-3-methylidenepyrrolidine-2,5-dione?
1-hexyl-3-methylidenepyrrolidine-2,5-dione has a molecular weight of 195.26 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-methylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 139782842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).