3-[(1R)-1-naphthalen-1-ylethyl]-1,4-dihydrofuro[3,4-d]imidazole-2,6-dione

C17H14N2O3 — CID 10957355

IUPAC3-[(1R)-1-naphthalen-1-ylethyl]-1,4-dihydrofuro[3,4-d]imidazole-2,6-dione
SMILESC[C@H](c1cccc2ccccc12)n1c2c([nH]c1=O)C(=O)OC2
InChIInChI=1S/C17H14N2O3/c1-10(12-8-4-6-11-5-2-3-7-13(11)12)19-14-9-22-16(20)15(14)18-17(19)21/h2-8,10H,9H2,1H3,(H,18,21)/t10-/m1/s1
InChIKeyIMJGYKRTBCLYRT-SNVBAGLBSA-N
MW294.31 g/mol
LogP2.61
Rot. Bonds2

About 3-[(1R)-1-naphthalen-1-ylethyl]-1,4-dihydrofuro[3,4-d]imidazole-2,6-dione

3-[(1R)-1-naphthalen-1-ylethyl]-1,4-dihydrofuro[3,4-d]imidazole-2,6-dione (PubChem CID 10957355) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-[(1R)-1-naphthalen-1-ylethyl]-1,4-dihydrofuro[3,4-d]imidazole-2,6-dione.

Molecular Properties

Compound Name3-[(1R)-1-naphthalen-1-ylethyl]-1,4-dihydrofuro[3,4-d]imidazole-2,6-dione
PubChem CID10957355
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name3-[(1R)-1-naphthalen-1-ylethyl]-1,4-dihydrofuro[3,4-d]imidazole-2,6-dione
SMILESC[C@H](c1cccc2ccccc12)n1c2c([nH]c1=O)C(=O)OC2
InChIInChI=1S/C17H14N2O3/c1-10(12-8-4-6-11-5-2-3-7-13(11)12)19-14-9-22-16(20)15(14)18-17(19)21/h2-8,10H,9H2,1H3,(H,18,21)/t10-/m1/s1
InChIKeyIMJGYKRTBCLYRT-SNVBAGLBSA-N
XLogP2.61
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-naphthalen-1-ylethyl]-1,4-dihydrofuro[3,4-d]imidazole-2,6-dione?
The IUPAC name of 3-[(1R)-1-naphthalen-1-ylethyl]-1,4-dihydrofuro[3,4-d]imidazole-2,6-dione (CID 10957355) is 3-[(1R)-1-naphthalen-1-ylethyl]-1,4-dihydrofuro[3,4-d]imidazole-2,6-dione.
What is the SMILES notation for 3-[(1R)-1-naphthalen-1-ylethyl]-1,4-dihydrofuro[3,4-d]imidazole-2,6-dione?
The canonical SMILES for 3-[(1R)-1-naphthalen-1-ylethyl]-1,4-dihydrofuro[3,4-d]imidazole-2,6-dione is C[C@H](c1cccc2ccccc12)n1c2c([nH]c1=O)C(=O)OC2.
What is the InChIKey of 3-[(1R)-1-naphthalen-1-ylethyl]-1,4-dihydrofuro[3,4-d]imidazole-2,6-dione?
The InChIKey is IMJGYKRTBCLYRT-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-10(12-8-4-6-11-5-2-3-7-13(11)12)19-14-9-22-16(20)15(14)18-17(19)21/h2-8,10H,9H2,1H3,(H,18,21)/t10-/m1/s1.
What are the key properties of 3-[(1R)-1-naphthalen-1-ylethyl]-1,4-dihydrofuro[3,4-d]imidazole-2,6-dione?
3-[(1R)-1-naphthalen-1-ylethyl]-1,4-dihydrofuro[3,4-d]imidazole-2,6-dione has a molecular weight of 294.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-naphthalen-1-ylethyl]-1,4-dihydrofuro[3,4-d]imidazole-2,6-dione is sourced from PubChem (CID 10957355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).