1-(3-methylideneoctyl)pyrrolidine-2,5-dione

C13H21NO2 — CID 70210174

IUPAC1-(3-methylideneoctyl)pyrrolidine-2,5-dione
SMILESC=C(CCCCC)CCN1C(=O)CCC1=O
InChIInChI=1S/C13H21NO2/c1-3-4-5-6-11(2)9-10-14-12(15)7-8-13(14)16/h2-10H2,1H3
InChIKeyHNFJQSHVHGPTHP-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.66
Rot. Bonds7

About 1-(3-methylideneoctyl)pyrrolidine-2,5-dione

1-(3-methylideneoctyl)pyrrolidine-2,5-dione (PubChem CID 70210174) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(3-methylideneoctyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-methylideneoctyl)pyrrolidine-2,5-dione
PubChem CID70210174
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(3-methylideneoctyl)pyrrolidine-2,5-dione
SMILESC=C(CCCCC)CCN1C(=O)CCC1=O
InChIInChI=1S/C13H21NO2/c1-3-4-5-6-11(2)9-10-14-12(15)7-8-13(14)16/h2-10H2,1H3
InChIKeyHNFJQSHVHGPTHP-UHFFFAOYSA-N
XLogP2.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-methylideneoctyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-methylideneoctyl)pyrrolidine-2,5-dione (CID 70210174) is 1-(3-methylideneoctyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-methylideneoctyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-methylideneoctyl)pyrrolidine-2,5-dione is C=C(CCCCC)CCN1C(=O)CCC1=O.
What is the InChIKey of 1-(3-methylideneoctyl)pyrrolidine-2,5-dione?
The InChIKey is HNFJQSHVHGPTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-4-5-6-11(2)9-10-14-12(15)7-8-13(14)16/h2-10H2,1H3.
What are the key properties of 1-(3-methylideneoctyl)pyrrolidine-2,5-dione?
1-(3-methylideneoctyl)pyrrolidine-2,5-dione has a molecular weight of 223.32 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylideneoctyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 70210174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).