cyclopentyl 9-(1,3-dioxoisoindol-2-yl)decanoate

C23H31NO4 — CID 57070379

IUPACcyclopentyl 9-(1,3-dioxoisoindol-2-yl)decanoate
SMILESCC(CCCCCCCC(=O)OC1CCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H31NO4/c1-17(24-22(26)19-14-9-10-15-20(19)23(24)27)11-5-3-2-4-6-16-21(25)28-18-12-7-8-13-18/h9-10,14-15,17-18H,2-8,11-13,16H2,1H3
InChIKeyIAMSXTGUQMQJLP-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.89
Rot. Bonds10

About cyclopentyl 9-(1,3-dioxoisoindol-2-yl)decanoate

cyclopentyl 9-(1,3-dioxoisoindol-2-yl)decanoate (PubChem CID 57070379) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is cyclopentyl 9-(1,3-dioxoisoindol-2-yl)decanoate.

Molecular Properties

Compound Namecyclopentyl 9-(1,3-dioxoisoindol-2-yl)decanoate
PubChem CID57070379
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Namecyclopentyl 9-(1,3-dioxoisoindol-2-yl)decanoate
SMILESCC(CCCCCCCC(=O)OC1CCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H31NO4/c1-17(24-22(26)19-14-9-10-15-20(19)23(24)27)11-5-3-2-4-6-16-21(25)28-18-12-7-8-13-18/h9-10,14-15,17-18H,2-8,11-13,16H2,1H3
InChIKeyIAMSXTGUQMQJLP-UHFFFAOYSA-N
XLogP4.89
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.89
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'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 9-(1,3-dioxoisoindol-2-yl)decanoate?
The IUPAC name of cyclopentyl 9-(1,3-dioxoisoindol-2-yl)decanoate (CID 57070379) is cyclopentyl 9-(1,3-dioxoisoindol-2-yl)decanoate.
What is the SMILES notation for cyclopentyl 9-(1,3-dioxoisoindol-2-yl)decanoate?
The canonical SMILES for cyclopentyl 9-(1,3-dioxoisoindol-2-yl)decanoate is CC(CCCCCCCC(=O)OC1CCCC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of cyclopentyl 9-(1,3-dioxoisoindol-2-yl)decanoate?
The InChIKey is IAMSXTGUQMQJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-17(24-22(26)19-14-9-10-15-20(19)23(24)27)11-5-3-2-4-6-16-21(25)28-18-12-7-8-13-18/h9-10,14-15,17-18H,2-8,11-13,16H2,1H3.
What are the key properties of cyclopentyl 9-(1,3-dioxoisoindol-2-yl)decanoate?
cyclopentyl 9-(1,3-dioxoisoindol-2-yl)decanoate has a molecular weight of 385.50 g/mol, XLogP of 4.89, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 9-(1,3-dioxoisoindol-2-yl)decanoate is sourced from PubChem (CID 57070379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).