2-phenyl-1,3-dioxolane-4,5-dicarboxamide

C11H12N2O4 — CID 570595

IUPAC2-phenyl-1,3-dioxolane-4,5-dicarboxamide
SMILESNC(=O)C1OC(c2ccccc2)OC1C(N)=O
InChIInChI=1S/C11H12N2O4/c12-9(14)7-8(10(13)15)17-11(16-7)6-4-2-1-3-5-6/h1-5,7-8,11H,(H2,12,14)(H2,13,15)
InChIKeyIJNZBBWZMJFJAN-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.56
Rot. Bonds3

About 2-phenyl-1,3-dioxolane-4,5-dicarboxamide

2-phenyl-1,3-dioxolane-4,5-dicarboxamide (PubChem CID 570595) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-phenyl-1,3-dioxolane-4,5-dicarboxamide.

Molecular Properties

Compound Name2-phenyl-1,3-dioxolane-4,5-dicarboxamide
PubChem CID570595
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name2-phenyl-1,3-dioxolane-4,5-dicarboxamide
SMILESNC(=O)C1OC(c2ccccc2)OC1C(N)=O
InChIInChI=1S/C11H12N2O4/c12-9(14)7-8(10(13)15)17-11(16-7)6-4-2-1-3-5-6/h1-5,7-8,11H,(H2,12,14)(H2,13,15)
InChIKeyIJNZBBWZMJFJAN-UHFFFAOYSA-N
XLogP-0.56
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 129741006
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CID 134920624
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CID 138977811
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CID 774800
CID 774800

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3-dioxolane-4,5-dicarboxamide?
The IUPAC name of 2-phenyl-1,3-dioxolane-4,5-dicarboxamide (CID 570595) is 2-phenyl-1,3-dioxolane-4,5-dicarboxamide.
What is the SMILES notation for 2-phenyl-1,3-dioxolane-4,5-dicarboxamide?
The canonical SMILES for 2-phenyl-1,3-dioxolane-4,5-dicarboxamide is NC(=O)C1OC(c2ccccc2)OC1C(N)=O.
What is the InChIKey of 2-phenyl-1,3-dioxolane-4,5-dicarboxamide?
The InChIKey is IJNZBBWZMJFJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c12-9(14)7-8(10(13)15)17-11(16-7)6-4-2-1-3-5-6/h1-5,7-8,11H,(H2,12,14)(H2,13,15).
What are the key properties of 2-phenyl-1,3-dioxolane-4,5-dicarboxamide?
2-phenyl-1,3-dioxolane-4,5-dicarboxamide has a molecular weight of 236.23 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-dioxolane-4,5-dicarboxamide is sourced from PubChem (CID 570595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).