N-(4-hydroxyphenyl)oxolane-2-carboxamide

C11H13NO3 — CID 2977397

IUPACN-(4-hydroxyphenyl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CCCO1
InChIInChI=1S/C11H13NO3/c13-9-5-3-8(4-6-9)12-11(14)10-2-1-7-15-10/h3-6,10,13H,1-2,7H2,(H,12,14)
InChIKeyCMEHSQAUWFGBLA-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.51
Rot. Bonds2

About N-(4-hydroxyphenyl)oxolane-2-carboxamide

N-(4-hydroxyphenyl)oxolane-2-carboxamide (PubChem CID 2977397) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)oxolane-2-carboxamide
PubChem CID2977397
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC NameN-(4-hydroxyphenyl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CCCO1
InChIInChI=1S/C11H13NO3/c13-9-5-3-8(4-6-9)12-11(14)10-2-1-7-15-10/h3-6,10,13H,1-2,7H2,(H,12,14)
InChIKeyCMEHSQAUWFGBLA-UHFFFAOYSA-N
XLogP1.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)oxolane-2-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)oxolane-2-carboxamide (CID 2977397) is N-(4-hydroxyphenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)oxolane-2-carboxamide is O=C(Nc1ccc(O)cc1)C1CCCO1.
What is the InChIKey of N-(4-hydroxyphenyl)oxolane-2-carboxamide?
The InChIKey is CMEHSQAUWFGBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-9-5-3-8(4-6-9)12-11(14)10-2-1-7-15-10/h3-6,10,13H,1-2,7H2,(H,12,14).
What are the key properties of N-(4-hydroxyphenyl)oxolane-2-carboxamide?
N-(4-hydroxyphenyl)oxolane-2-carboxamide has a molecular weight of 207.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 2977397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).