[1-(1,3-dioxoisoindol-2-yl)-3-(2,6-dioxopiperidin-1-yl)-2-methylpropan-2-yl] hydrogen carbonate

C18H18N2O7 — CID 175712941

IUPAC[1-(1,3-dioxoisoindol-2-yl)-3-(2,6-dioxopiperidin-1-yl)-2-methylpropan-2-yl] hydrogen carbonate
SMILESCC(CN1C(=O)CCCC1=O)(CN1C(=O)c2ccccc2C1=O)OC(=O)O
InChIInChI=1S/C18H18N2O7/c1-18(27-17(25)26,9-19-13(21)7-4-8-14(19)22)10-20-15(23)11-5-2-3-6-12(11)16(20)24/h2-3,5-6H,4,7-10H2,1H3,(H,25,26)
InChIKeyTUQDRADNZBHTEK-UHFFFAOYSA-N
MW374.35 g/mol
LogP1.27
Rot. Bonds5

About [1-(1,3-dioxoisoindol-2-yl)-3-(2,6-dioxopiperidin-1-yl)-2-methylpropan-2-yl] hydrogen carbonate

[1-(1,3-dioxoisoindol-2-yl)-3-(2,6-dioxopiperidin-1-yl)-2-methylpropan-2-yl] hydrogen carbonate (PubChem CID 175712941) has the molecular formula C18H18N2O7 and a molecular weight of 374.35 g/mol. Its IUPAC name is [1-(1,3-dioxoisoindol-2-yl)-3-(2,6-dioxopiperidin-1-yl)-2-methylpropan-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[1-(1,3-dioxoisoindol-2-yl)-3-(2,6-dioxopiperidin-1-yl)-2-methylpropan-2-yl] hydrogen carbonate
PubChem CID175712941
Molecular FormulaC18H18N2O7
Molecular Weight374.35 g/mol
Exact Mass374.11
IUPAC Name[1-(1,3-dioxoisoindol-2-yl)-3-(2,6-dioxopiperidin-1-yl)-2-methylpropan-2-yl] hydrogen carbonate
SMILESCC(CN1C(=O)CCCC1=O)(CN1C(=O)c2ccccc2C1=O)OC(=O)O
InChIInChI=1S/C18H18N2O7/c1-18(27-17(25)26,9-19-13(21)7-4-8-14(19)22)10-20-15(23)11-5-2-3-6-12(11)16(20)24/h2-3,5-6H,4,7-10H2,1H3,(H,25,26)
InChIKeyTUQDRADNZBHTEK-UHFFFAOYSA-N
XLogP1.27
TPSA121.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(1,3-dioxoisoindol-2-yl)-3-(2,6-dioxopiperidin-1-yl)-2-methylpropan-2-yl] hydrogen carbonate?
The IUPAC name of [1-(1,3-dioxoisoindol-2-yl)-3-(2,6-dioxopiperidin-1-yl)-2-methylpropan-2-yl] hydrogen carbonate (CID 175712941) is [1-(1,3-dioxoisoindol-2-yl)-3-(2,6-dioxopiperidin-1-yl)-2-methylpropan-2-yl] hydrogen carbonate.
What is the SMILES notation for [1-(1,3-dioxoisoindol-2-yl)-3-(2,6-dioxopiperidin-1-yl)-2-methylpropan-2-yl] hydrogen carbonate?
The canonical SMILES for [1-(1,3-dioxoisoindol-2-yl)-3-(2,6-dioxopiperidin-1-yl)-2-methylpropan-2-yl] hydrogen carbonate is CC(CN1C(=O)CCCC1=O)(CN1C(=O)c2ccccc2C1=O)OC(=O)O.
What is the InChIKey of [1-(1,3-dioxoisoindol-2-yl)-3-(2,6-dioxopiperidin-1-yl)-2-methylpropan-2-yl] hydrogen carbonate?
The InChIKey is TUQDRADNZBHTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O7/c1-18(27-17(25)26,9-19-13(21)7-4-8-14(19)22)10-20-15(23)11-5-2-3-6-12(11)16(20)24/h2-3,5-6H,4,7-10H2,1H3,(H,25,26).
What are the key properties of [1-(1,3-dioxoisoindol-2-yl)-3-(2,6-dioxopiperidin-1-yl)-2-methylpropan-2-yl] hydrogen carbonate?
[1-(1,3-dioxoisoindol-2-yl)-3-(2,6-dioxopiperidin-1-yl)-2-methylpropan-2-yl] hydrogen carbonate has a molecular weight of 374.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-dioxoisoindol-2-yl)-3-(2,6-dioxopiperidin-1-yl)-2-methylpropan-2-yl] hydrogen carbonate is sourced from PubChem (CID 175712941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).