1-[4-(2-methoxy-5-oxo-2H-pyrrol-1-yl)butyl]pyrrole-2,5-dione

C13H16N2O4 — CID 163870989

IUPAC1-[4-(2-methoxy-5-oxo-2H-pyrrol-1-yl)butyl]pyrrole-2,5-dione
SMILESCOC1C=CC(=O)N1CCCCN1C(=O)C=CC1=O
InChIInChI=1S/C13H16N2O4/c1-19-13-7-6-12(18)15(13)9-3-2-8-14-10(16)4-5-11(14)17/h4-7,13H,2-3,8-9H2,1H3
InChIKeyPKTPUKQHHCCVDP-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.06
Rot. Bonds6

About 1-[4-(2-methoxy-5-oxo-2H-pyrrol-1-yl)butyl]pyrrole-2,5-dione

1-[4-(2-methoxy-5-oxo-2H-pyrrol-1-yl)butyl]pyrrole-2,5-dione (PubChem CID 163870989) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[4-(2-methoxy-5-oxo-2H-pyrrol-1-yl)butyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-(2-methoxy-5-oxo-2H-pyrrol-1-yl)butyl]pyrrole-2,5-dione
PubChem CID163870989
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-[4-(2-methoxy-5-oxo-2H-pyrrol-1-yl)butyl]pyrrole-2,5-dione
SMILESCOC1C=CC(=O)N1CCCCN1C(=O)C=CC1=O
InChIInChI=1S/C13H16N2O4/c1-19-13-7-6-12(18)15(13)9-3-2-8-14-10(16)4-5-11(14)17/h4-7,13H,2-3,8-9H2,1H3
InChIKeyPKTPUKQHHCCVDP-UHFFFAOYSA-N
XLogP0.06
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(2-methoxy-5-oxo-2H-pyrrol-1-yl)butyl]pyrrole-2,5-dione with MolForge

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Related Compounds

1-(4-methylperoxybutyl)pyrrole-2,5-dione
CID 20805365
1-hexadecylpyrrole-2,5-dione
CID 4526314
1-butylpyrrole-2,5-dione;silane
CID 160820729
1-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propoxy]propoxy]propyl]pyrrole-2,5-dione
CID 18417215
1-(14-sulfanyltetradecyl)pyrrole-2,5-dione
CID 173127689
1-(5-iodopentyl)pyrrole-2,5-dione
CID 89213790
1-(13-sulfanyltridecyl)pyrrole-2,5-dione
CID 173127544
1-(10-hydroxydecyl)pyrrole-2,5-dione
CID 68660027
10-(2,5-dioxopyrrol-1-yl)decyl acetate
CID 175460428
1-heptyl-2-hydroxy-2H-pyrrol-5-one
CID 14479801
5-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid
CID 104683053
azane;1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione;propan-1-amine
CID 70219860

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxy-5-oxo-2H-pyrrol-1-yl)butyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-(2-methoxy-5-oxo-2H-pyrrol-1-yl)butyl]pyrrole-2,5-dione (CID 163870989) is 1-[4-(2-methoxy-5-oxo-2H-pyrrol-1-yl)butyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-(2-methoxy-5-oxo-2H-pyrrol-1-yl)butyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-(2-methoxy-5-oxo-2H-pyrrol-1-yl)butyl]pyrrole-2,5-dione is COC1C=CC(=O)N1CCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[4-(2-methoxy-5-oxo-2H-pyrrol-1-yl)butyl]pyrrole-2,5-dione?
The InChIKey is PKTPUKQHHCCVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-13-7-6-12(18)15(13)9-3-2-8-14-10(16)4-5-11(14)17/h4-7,13H,2-3,8-9H2,1H3.
What are the key properties of 1-[4-(2-methoxy-5-oxo-2H-pyrrol-1-yl)butyl]pyrrole-2,5-dione?
1-[4-(2-methoxy-5-oxo-2H-pyrrol-1-yl)butyl]pyrrole-2,5-dione has a molecular weight of 264.28 g/mol, XLogP of 0.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxy-5-oxo-2H-pyrrol-1-yl)butyl]pyrrole-2,5-dione is sourced from PubChem (CID 163870989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).