3-heptylidenepyrrolidine-2,5-dione

C11H17NO2 — CID 141176728

IUPAC3-heptylidenepyrrolidine-2,5-dione
SMILESCCCCCCC=C1CC(=O)NC1=O
InChIInChI=1S/C11H17NO2/c1-2-3-4-5-6-7-9-8-10(13)12-11(9)14/h7H,2-6,8H2,1H3,(H,12,13,14)
InChIKeyCSRAYDQIEIMGMK-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.93
Rot. Bonds5

About 3-heptylidenepyrrolidine-2,5-dione

3-heptylidenepyrrolidine-2,5-dione (PubChem CID 141176728) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-heptylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-heptylidenepyrrolidine-2,5-dione
PubChem CID141176728
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-heptylidenepyrrolidine-2,5-dione
SMILESCCCCCCC=C1CC(=O)NC1=O
InChIInChI=1S/C11H17NO2/c1-2-3-4-5-6-7-9-8-10(13)12-11(9)14/h7H,2-6,8H2,1H3,(H,12,13,14)
InChIKeyCSRAYDQIEIMGMK-UHFFFAOYSA-N
XLogP1.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
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'}

Analyze 3-heptylidenepyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hexylideneazepane-2,7-dione
CID 151725018
(3Z)-3-(4-hydroxybutylidene)pyrrolidine-2,5-dione
CID 87141360
(3Z)-3-pentylidenepiperidine-2,6-dione
CID 123499320
3-(3-ethylheptylidene)pyrrolidine-2,5-dione
CID 140607684
(4Z)-4-nonylidenepyrazolidin-3-one
CID 88776444
3-octylideneoxolane-2,5-dione
CID 90776314
(2E)-2-octylidenecyclohexan-1-one
CID 6441359
(2Z)-2-octylidenecyclopentan-1-one
CID 87161532
3-hexylideneoxolane-2,5-dione
CID 153403975
(2Z)-2-heptylidenecyclopentan-1-one
CID 56924121
(3Z)-3-decylideneoxolan-2-one
CID 13315995
(3Z,5R)-3-decylidene-5-methyloxolan-2-one
CID 124636115

Frequently Asked Questions

What is the IUPAC name of 3-heptylidenepyrrolidine-2,5-dione?
The IUPAC name of 3-heptylidenepyrrolidine-2,5-dione (CID 141176728) is 3-heptylidenepyrrolidine-2,5-dione.
What is the SMILES notation for 3-heptylidenepyrrolidine-2,5-dione?
The canonical SMILES for 3-heptylidenepyrrolidine-2,5-dione is CCCCCCC=C1CC(=O)NC1=O.
What is the InChIKey of 3-heptylidenepyrrolidine-2,5-dione?
The InChIKey is CSRAYDQIEIMGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-3-4-5-6-7-9-8-10(13)12-11(9)14/h7H,2-6,8H2,1H3,(H,12,13,14).
What are the key properties of 3-heptylidenepyrrolidine-2,5-dione?
3-heptylidenepyrrolidine-2,5-dione has a molecular weight of 195.26 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 141176728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).