1-(3-ethoxypropyl)pyrrole-2,5-dione

C9H13NO3 — CID 20591597

IUPAC1-(3-ethoxypropyl)pyrrole-2,5-dione
SMILESCCOCCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H13NO3/c1-2-13-7-3-6-10-8(11)4-5-9(10)12/h4-5H,2-3,6-7H2,1H3
InChIKeyOAIQIQHJNGMTCR-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.34
Rot. Bonds5

About 1-(3-ethoxypropyl)pyrrole-2,5-dione

1-(3-ethoxypropyl)pyrrole-2,5-dione (PubChem CID 20591597) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-ethoxypropyl)pyrrole-2,5-dione
PubChem CID20591597
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-(3-ethoxypropyl)pyrrole-2,5-dione
SMILESCCOCCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H13NO3/c1-2-13-7-3-6-10-8(11)4-5-9(10)12/h4-5H,2-3,6-7H2,1H3
InChIKeyOAIQIQHJNGMTCR-UHFFFAOYSA-N
XLogP0.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Propyl-1H-pyrrole-2,5-dione
CID 89033
N-Butylmaleimide
CID 239780
1-(2-Methoxy-ethyl)-pyrrole-2,5-dione
CID 2759573
1-Isobutyl-1h-pyrrole-2,5-dione
CID 244598
1-(3-Dimethylaminopropyl)-1H-pyrrole-2,5-dione
CID 151256
1-(Butan-2-yl)-1H-pyrrole-2,5-dione
CID 19388273
1-[3-(2-{2-[3-(2,5-Dioxoazolinyl)propoxy]ethoxy}ethoxy)propyl]azoline-2,5-dion e
CID 4464897
(3-Ethoxypropyl)-3-pyrrolin-2-one
CID 129869331
Ethene;1-propylpyrrole-2,5-dione
CID 285261
ethyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoate
CID 11171588
1-(2,2-Dimethylpropyl)pyrrole-2,5-dione
CID 12858663
2-Ethoxyethyl 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 17857425

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-ethoxypropyl)pyrrole-2,5-dione (CID 20591597) is 1-(3-ethoxypropyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-ethoxypropyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-ethoxypropyl)pyrrole-2,5-dione is CCOCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(3-ethoxypropyl)pyrrole-2,5-dione?
The InChIKey is OAIQIQHJNGMTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-2-13-7-3-6-10-8(11)4-5-9(10)12/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 1-(3-ethoxypropyl)pyrrole-2,5-dione?
1-(3-ethoxypropyl)pyrrole-2,5-dione has a molecular weight of 183.21 g/mol, XLogP of 0.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)pyrrole-2,5-dione is sourced from PubChem (CID 20591597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).