(2S)-5-formyl-2,3-dihydro-1-benzofuran-2-carboxamide

C10H9NO3 — CID 125455814

IUPAC(2S)-5-formyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNC(=O)[C@@H]1Cc2cc(C=O)ccc2O1
InChIInChI=1S/C10H9NO3/c11-10(13)9-4-7-3-6(5-12)1-2-8(7)14-9/h1-3,5,9H,4H2,(H2,11,13)/t9-/m0/s1
InChIKeyDWVKKPSLJUXREU-VIFPVBQESA-N
MW191.19 g/mol
LogP0.29
Rot. Bonds2

About (2S)-5-formyl-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-5-formyl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 125455814) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is (2S)-5-formyl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-formyl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID125455814
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name(2S)-5-formyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNC(=O)[C@@H]1Cc2cc(C=O)ccc2O1
InChIInChI=1S/C10H9NO3/c11-10(13)9-4-7-3-6(5-12)1-2-8(7)14-9/h1-3,5,9H,4H2,(H2,11,13)/t9-/m0/s1
InChIKeyDWVKKPSLJUXREU-VIFPVBQESA-N
XLogP0.29
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2,3-dihydro-1-benzofuran-2-carboxamide
CID 130734966
5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42920084
(2S)-2-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 129408805
(2S)-2-cyclohexyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 129404936
3-(2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)prop-2-enoic acid
CID 85177007
6-bromo-2,3-dihydro-1-benzofuran-2-carboxamide
CID 173469821
(2S)-2-benzyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 129362542
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone
CID 67297085
3-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-one
CID 165456674
(2R)-6-chloro-3,4-dihydro-2H-chromene-2-carboxamide
CID 66893695
(2S)-N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95580315
(Z)-2-(2,3-dihydro-1-benzofuran-2-yl)but-2-enamide
CID 90190601

Frequently Asked Questions

What is the IUPAC name of (2S)-5-formyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-5-formyl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 125455814) is (2S)-5-formyl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-5-formyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-5-formyl-2,3-dihydro-1-benzofuran-2-carboxamide is NC(=O)[C@@H]1Cc2cc(C=O)ccc2O1.
What is the InChIKey of (2S)-5-formyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is DWVKKPSLJUXREU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H9NO3/c11-10(13)9-4-7-3-6(5-12)1-2-8(7)14-9/h1-3,5,9H,4H2,(H2,11,13)/t9-/m0/s1.
What are the key properties of (2S)-5-formyl-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-5-formyl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 191.19 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-formyl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 125455814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).