1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid

C14H13NO3 — CID 62234275

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1CC1Cc2ccccc2O1
InChIInChI=1S/C14H13NO3/c16-14(17)12-5-3-7-15(12)9-11-8-10-4-1-2-6-13(10)18-11/h1-7,11H,8-9H2,(H,16,17)
InChIKeyFNWAMOHGJPWDJJ-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.19
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid (PubChem CID 62234275) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid
PubChem CID62234275
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1CC1Cc2ccccc2O1
InChIInChI=1S/C14H13NO3/c16-14(17)12-5-3-7-15(12)9-11-8-10-4-1-2-6-13(10)18-11/h1-7,11H,8-9H2,(H,16,17)
InChIKeyFNWAMOHGJPWDJJ-UHFFFAOYSA-N
XLogP2.19
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrole-2-carboxylic acid
CID 79114665
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid
CID 66364000
ethyl 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrole-2-carboxylate
CID 105422100
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,7-dihydro-5H-indol-4-one
CID 62233023
[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indol-4-yl]methanol
CID 66364392
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
CID 55052644
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine
CID 106569539
2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]acetic acid
CID 66364780
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-fluoroindole
CID 82782530
3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one
CID 99610232
[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpyrrol-3-yl]methanamine
CID 114195982
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one
CID 62233014

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid (CID 62234275) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid is O=C(O)c1cccn1CC1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid?
The InChIKey is FNWAMOHGJPWDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-14(17)12-5-3-7-15(12)9-11-8-10-4-1-2-6-13(10)18-11/h1-7,11H,8-9H2,(H,16,17).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 62234275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).