1-[2-(2-hydroxyethyl)pentyl]pyrrole-2,5-dione

C11H17NO3 — CID 106116952

IUPAC1-[2-(2-hydroxyethyl)pentyl]pyrrole-2,5-dione
SMILESCCCC(CCO)CN1C(=O)C=CC1=O
InChIInChI=1S/C11H17NO3/c1-2-3-9(6-7-13)8-12-10(14)4-5-11(12)15/h4-5,9,13H,2-3,6-8H2,1H3
InChIKeyMVBGNFIYTYTYQY-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.71
Rot. Bonds6

About 1-[2-(2-hydroxyethyl)pentyl]pyrrole-2,5-dione

1-[2-(2-hydroxyethyl)pentyl]pyrrole-2,5-dione (PubChem CID 106116952) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)pentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)pentyl]pyrrole-2,5-dione
PubChem CID106116952
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-[2-(2-hydroxyethyl)pentyl]pyrrole-2,5-dione
SMILESCCCC(CCO)CN1C(=O)C=CC1=O
InChIInChI=1S/C11H17NO3/c1-2-3-9(6-7-13)8-12-10(14)4-5-11(12)15/h4-5,9,13H,2-3,6-8H2,1H3
InChIKeyMVBGNFIYTYTYQY-UHFFFAOYSA-N
XLogP0.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 106116982
2-[2-(2-hydroxyethyl)pentyl]-5-methylisoindole-1,3-dione
CID 106116970
2-[(2,5-dioxopyrrol-1-yl)methyl]pentanoic acid
CID 65221515
1-[2-(2-hydroxyethyl)pentyl]pyrrolidin-2-one
CID 106116958
ethane;3-propylhexan-1-ol
CID 142096808
1-[(2R,3R)-4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione
CID 84820686
(3S)-3-(aminomethyl)hexan-1-ol
CID 95566845
1-[(3S)-4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione
CID 139814524
1-(2-methyldodecyl)pyrrole-2,5-dione
CID 129274681
1-[2-(2-hydroxyethyl)pentyl]-5-oxopyrrolidine-3-carboxylic acid
CID 106116549
1-[2-(2-hydroxyethyl)pentyl]-3-(methylamino)pyrrolidin-2-one
CID 106118449
3-methyl-1-[4-[(3-methyl-2,5-dioxopyrrol-1-yl)methyl]heptyl]pyrrole-2,5-dione
CID 135308237

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)pentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(2-hydroxyethyl)pentyl]pyrrole-2,5-dione (CID 106116952) is 1-[2-(2-hydroxyethyl)pentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)pentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(2-hydroxyethyl)pentyl]pyrrole-2,5-dione is CCCC(CCO)CN1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-(2-hydroxyethyl)pentyl]pyrrole-2,5-dione?
The InChIKey is MVBGNFIYTYTYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-3-9(6-7-13)8-12-10(14)4-5-11(12)15/h4-5,9,13H,2-3,6-8H2,1H3.
What are the key properties of 1-[2-(2-hydroxyethyl)pentyl]pyrrole-2,5-dione?
1-[2-(2-hydroxyethyl)pentyl]pyrrole-2,5-dione has a molecular weight of 211.26 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)pentyl]pyrrole-2,5-dione is sourced from PubChem (CID 106116952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).