ethene;1-(6-oxoheptyl)pyrrole-2,5-dione

C13H19NO3 — CID 144940769

IUPACethene;1-(6-oxoheptyl)pyrrole-2,5-dione
SMILESC=C.CC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H15NO3.C2H4/c1-9(13)5-3-2-4-8-12-10(14)6-7-11(12)15;1-2/h6-7H,2-5,8H2,1H3;1-2H2
InChIKeyCWZMIPRNDAUCFY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.86
Rot. Bonds6

About ethene;1-(6-oxoheptyl)pyrrole-2,5-dione

ethene;1-(6-oxoheptyl)pyrrole-2,5-dione (PubChem CID 144940769) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethene;1-(6-oxoheptyl)pyrrole-2,5-dione.

Molecular Properties

Compound Nameethene;1-(6-oxoheptyl)pyrrole-2,5-dione
PubChem CID144940769
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethene;1-(6-oxoheptyl)pyrrole-2,5-dione
SMILESC=C.CC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H15NO3.C2H4/c1-9(13)5-3-2-4-8-12-10(14)6-7-11(12)15;1-2/h6-7H,2-5,8H2,1H3;1-2H2
InChIKeyCWZMIPRNDAUCFY-UHFFFAOYSA-N
XLogP1.86
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

ethane;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 145323318
10-(2,5-dioxopyrrol-1-yl)decanamide
CID 134211555
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride
CID 24763401
CID 170745532
CID 170745532
1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,28-dioxononacosoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]pyrrole-2,5-dione
CID 123169604
1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione
CID 58173868
1-(12-amino-11-oxododecyl)pyrrole-2,5-dione
CID 58173871
1-hexadecylpyrrole-2,5-dione
CID 4526314
1-(10-hydroxydecyl)pyrrole-2,5-dione
CID 68660027
6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide
CID 59811725
6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide
CID 25001613

Frequently Asked Questions

What is the IUPAC name of ethene;1-(6-oxoheptyl)pyrrole-2,5-dione?
The IUPAC name of ethene;1-(6-oxoheptyl)pyrrole-2,5-dione (CID 144940769) is ethene;1-(6-oxoheptyl)pyrrole-2,5-dione.
What is the SMILES notation for ethene;1-(6-oxoheptyl)pyrrole-2,5-dione?
The canonical SMILES for ethene;1-(6-oxoheptyl)pyrrole-2,5-dione is C=C.CC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of ethene;1-(6-oxoheptyl)pyrrole-2,5-dione?
The InChIKey is CWZMIPRNDAUCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3.C2H4/c1-9(13)5-3-2-4-8-12-10(14)6-7-11(12)15;1-2/h6-7H,2-5,8H2,1H3;1-2H2.
What are the key properties of ethene;1-(6-oxoheptyl)pyrrole-2,5-dione?
ethene;1-(6-oxoheptyl)pyrrole-2,5-dione has a molecular weight of 237.30 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-(6-oxoheptyl)pyrrole-2,5-dione is sourced from PubChem (CID 144940769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).