N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-2-methylfuran-3-carboxamide

C14H14N2O5 — CID 4171551

IUPACN-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NN1C(=O)C2C3CCC(O3)C2C1=O
InChIInChI=1S/C14H14N2O5/c1-6-7(4-5-20-6)12(17)15-16-13(18)10-8-2-3-9(21-8)11(10)14(16)19/h4-5,8-11H,2-3H2,1H3,(H,15,17)
InChIKeyIXLCLBNAMNDOBU-UHFFFAOYSA-N
MW290.27 g/mol
LogP0.40
Rot. Bonds2

About N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-2-methylfuran-3-carboxamide

N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-2-methylfuran-3-carboxamide (PubChem CID 4171551) has the molecular formula C14H14N2O5 and a molecular weight of 290.27 g/mol. Its IUPAC name is N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-2-methylfuran-3-carboxamide
PubChem CID4171551
Molecular FormulaC14H14N2O5
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC NameN-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NN1C(=O)C2C3CCC(O3)C2C1=O
InChIInChI=1S/C14H14N2O5/c1-6-7(4-5-20-6)12(17)15-16-13(18)10-8-2-3-9(21-8)11(10)14(16)19/h4-5,8-11H,2-3H2,1H3,(H,15,17)
InChIKeyIXLCLBNAMNDOBU-UHFFFAOYSA-N
XLogP0.40
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-2-methylfuran-3-carboxamide (CID 4171551) is N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NN1C(=O)C2C3CCC(O3)C2C1=O.
What is the InChIKey of N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-2-methylfuran-3-carboxamide?
The InChIKey is IXLCLBNAMNDOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-6-7(4-5-20-6)12(17)15-16-13(18)10-8-2-3-9(21-8)11(10)14(16)19/h4-5,8-11H,2-3H2,1H3,(H,15,17).
What are the key properties of N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-2-methylfuran-3-carboxamide?
N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-2-methylfuran-3-carboxamide has a molecular weight of 290.27 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 4171551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).