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

C16H21NO3 — CID 106116970

IUPAC2-[2-(2-hydroxyethyl)pentyl]-5-methylisoindole-1,3-dione
SMILESCCCC(CCO)CN1C(=O)c2ccc(C)cc2C1=O
InChIInChI=1S/C16H21NO3/c1-3-4-12(7-8-18)10-17-15(19)13-6-5-11(2)9-14(13)16(17)20/h5-6,9,12,18H,3-4,7-8,10H2,1-2H3
InChIKeyLPENNYCJMPNZFH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.39
Rot. Bonds6

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

2-[2-(2-hydroxyethyl)pentyl]-5-methylisoindole-1,3-dione (PubChem CID 106116970) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)pentyl]-5-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)pentyl]-5-methylisoindole-1,3-dione
PubChem CID106116970
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[2-(2-hydroxyethyl)pentyl]-5-methylisoindole-1,3-dione
SMILESCCCC(CCO)CN1C(=O)c2ccc(C)cc2C1=O
InChIInChI=1S/C16H21NO3/c1-3-4-12(7-8-18)10-17-15(19)13-6-5-11(2)9-14(13)16(17)20/h5-6,9,12,18H,3-4,7-8,10H2,1-2H3
InChIKeyLPENNYCJMPNZFH-UHFFFAOYSA-N
XLogP2.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.39
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

2-(2-hydroxybutyl)-5-methylisoindole-1,3-dione
CID 113492803
2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione
CID 61208292
1-[2-(2-hydroxyethyl)pentyl]pyrrole-2,5-dione
CID 106116952
5-bromo-2-[2-(sulfanylmethyl)pentyl]isoindole-1,3-dione
CID 106674953
2-hexan-3-yl-5-methylisoindole-1,3-dione
CID 123821661
1-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 106116982
(2S)-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]hexanoic acid
CID 120614308
2-(2-ethylhexyl)-6,7-dimethylbenzo[de]isoquinoline-1,3-dione
CID 157287985
5-methyl-2-[2-(propylamino)ethyl]isoindole-1,3-dione
CID 62664853
2-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 71494022
5-methyl-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
CID 142829685
N-[2-(2-hydroxyethyl)pentyl]-2,5-dimethylbenzamide
CID 103725617

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)pentyl]-5-methylisoindole-1,3-dione?
The IUPAC name of 2-[2-(2-hydroxyethyl)pentyl]-5-methylisoindole-1,3-dione (CID 106116970) is 2-[2-(2-hydroxyethyl)pentyl]-5-methylisoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)pentyl]-5-methylisoindole-1,3-dione?
The canonical SMILES for 2-[2-(2-hydroxyethyl)pentyl]-5-methylisoindole-1,3-dione is CCCC(CCO)CN1C(=O)c2ccc(C)cc2C1=O.
What is the InChIKey of 2-[2-(2-hydroxyethyl)pentyl]-5-methylisoindole-1,3-dione?
The InChIKey is LPENNYCJMPNZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-4-12(7-8-18)10-17-15(19)13-6-5-11(2)9-14(13)16(17)20/h5-6,9,12,18H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-[2-(2-hydroxyethyl)pentyl]-5-methylisoindole-1,3-dione?
2-[2-(2-hydroxyethyl)pentyl]-5-methylisoindole-1,3-dione has a molecular weight of 275.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethyl)pentyl]-5-methylisoindole-1,3-dione is sourced from PubChem (CID 106116970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).