1-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylpyrrolidine-2,5-dione

C13H23NO3 — CID 106116982

IUPAC1-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCCCC(CCO)CN1C(=O)C(C)C(C)C1=O
InChIInChI=1S/C13H23NO3/c1-4-5-11(6-7-15)8-14-12(16)9(2)10(3)13(14)17/h9-11,15H,4-8H2,1-3H3
InChIKeyMIEVHKPWEQYNBV-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.43
Rot. Bonds6

About 1-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylpyrrolidine-2,5-dione

1-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 106116982) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID106116982
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCCCC(CCO)CN1C(=O)C(C)C(C)C1=O
InChIInChI=1S/C13H23NO3/c1-4-5-11(6-7-15)8-14-12(16)9(2)10(3)13(14)17/h9-11,15H,4-8H2,1-3H3
InChIKeyMIEVHKPWEQYNBV-UHFFFAOYSA-N
XLogP1.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.43
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]pyrrole-2,5-dione
CID 106116952
1-[2-(2-hydroxyethyl)pentyl]-5-oxopyrrolidine-3-carboxylic acid
CID 106116549
2-[2-(2-hydroxyethyl)pentyl]-5-methylisoindole-1,3-dione
CID 106116970
1-[2-(2-hydroxyethyl)pentyl]-3-(methylamino)pyrrolidin-2-one
CID 106118449
4-(2-propylhexyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 141462977
1-[2-(2-hydroxyethyl)pentyl]pyrrolidin-2-one
CID 106116958
ethane;3-propylhexan-1-ol
CID 142096808
3-[(3-propan-2-ylazetidin-1-yl)methyl]hexan-1-ol
CID 106116996
(3S)-3-(aminomethyl)hexan-1-ol
CID 95566845
3-propylheptan-1-ol
CID 22492543
4-(2-hydroxyethyl)heptan-2-one
CID 143211527
1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79181723

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylpyrrolidine-2,5-dione (CID 106116982) is 1-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylpyrrolidine-2,5-dione is CCCC(CCO)CN1C(=O)C(C)C(C)C1=O.
What is the InChIKey of 1-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is MIEVHKPWEQYNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-5-11(6-7-15)8-14-12(16)9(2)10(3)13(14)17/h9-11,15H,4-8H2,1-3H3.
What are the key properties of 1-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylpyrrolidine-2,5-dione?
1-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 241.33 g/mol, XLogP of 1.43, 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]-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 106116982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).