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

C12H21NO3 — CID 106116924

IUPAC1-[2-(2-hydroxyethyl)pentyl]-3-methylpyrrolidine-2,5-dione
SMILESCCCC(CCO)CN1C(=O)CC(C)C1=O
InChIInChI=1S/C12H21NO3/c1-3-4-10(5-6-14)8-13-11(15)7-9(2)12(13)16/h9-10,14H,3-8H2,1-2H3
InChIKeyXCCSXOJYVHUBRB-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.18
Rot. Bonds6

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

1-[2-(2-hydroxyethyl)pentyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 106116924) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)pentyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)pentyl]-3-methylpyrrolidine-2,5-dione
PubChem CID106116924
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-[2-(2-hydroxyethyl)pentyl]-3-methylpyrrolidine-2,5-dione
SMILESCCCC(CCO)CN1C(=O)CC(C)C1=O
InChIInChI=1S/C12H21NO3/c1-3-4-10(5-6-14)8-13-11(15)7-9(2)12(13)16/h9-10,14H,3-8H2,1-2H3
InChIKeyXCCSXOJYVHUBRB-UHFFFAOYSA-N
XLogP1.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.18
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-(1-Hydroxyhexyl)pyrrolidine-2,5-dione
CID 18781486
4-(Hydroxymethyl)-1-pentylpyrrolidin-2-one
CID 24275540
1-[3-(Hydroxymethyl)pentyl]pyrrolidin-2-one
CID 53915835
3-Ethyl-1-(4-hydroxybutyl)-3-methylpyrrolidine-2,5-dione
CID 56981015
3-Ethyl-1-(6-hydroxyhexyl)-3-methylpyrrolidine-2,5-dione
CID 57319175
1-(5-Hydroxypentyl)-3-methylpyrrolidine-2,5-dione
CID 58331313
1-(5-Hydroxypentan-2-yl)-3-methylpyrrolidine-2,5-dione
CID 58340932
1-(4-Hydroxybutyl)-3-methylpyrrolidine-2,5-dione
CID 58493135
(4S)-4-(3-hydroxy-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one
CID 59109327
5-Hydroxy-1,3,4-tri(propan-2-yl)pyrrolidin-2-one
CID 68014381
N-(6-hydroxyhexyl)octadecyl succinimide
CID 68773496
1-[Cyclohexyl(hydroxy)methyl]pyrrolidin-2-one
CID 69469375

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)pentyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(2-hydroxyethyl)pentyl]-3-methylpyrrolidine-2,5-dione (CID 106116924) is 1-[2-(2-hydroxyethyl)pentyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)pentyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(2-hydroxyethyl)pentyl]-3-methylpyrrolidine-2,5-dione is CCCC(CCO)CN1C(=O)CC(C)C1=O.
What is the InChIKey of 1-[2-(2-hydroxyethyl)pentyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is XCCSXOJYVHUBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-4-10(5-6-14)8-13-11(15)7-9(2)12(13)16/h9-10,14H,3-8H2,1-2H3.
What are the key properties of 1-[2-(2-hydroxyethyl)pentyl]-3-methylpyrrolidine-2,5-dione?
1-[2-(2-hydroxyethyl)pentyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 227.30 g/mol, XLogP of 1.18, 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-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 106116924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).