4-(2,3-dihydro-1-benzofuran-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid

C15H14N2O4 — CID 82876586

IUPAC4-(2,3-dihydro-1-benzofuran-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NC(=O)C2COc3ccccc32)c1C(=O)O
InChIInChI=1S/C15H14N2O4/c1-8-13(15(19)20)11(6-16-8)17-14(18)10-7-21-12-5-3-2-4-9(10)12/h2-6,10,16H,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyFFHWMYUTBRPZNP-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.14
Rot. Bonds3

About 4-(2,3-dihydro-1-benzofuran-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid

4-(2,3-dihydro-1-benzofuran-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 82876586) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID82876586
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-(2,3-dihydro-1-benzofuran-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NC(=O)C2COc3ccccc32)c1C(=O)O
InChIInChI=1S/C15H14N2O4/c1-8-13(15(19)20)11(6-16-8)17-14(18)10-7-21-12-5-3-2-4-9(10)12/h2-6,10,16H,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyFFHWMYUTBRPZNP-UHFFFAOYSA-N
XLogP2.14
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 104757107
(3R)-N-[2-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124588262
N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 112691407
(3S)-N-(3-chloro-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95782971
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
(3S)-N-(5-cyano-2-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 96503291
N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 154872380
1-[[(3S)-2,3-dihydro-1-benzofuran-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124636976
N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 103909491
(3S)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97213546
N-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 79767886

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid (CID 82876586) is 4-(2,3-dihydro-1-benzofuran-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid is Cc1[nH]cc(NC(=O)C2COc3ccccc32)c1C(=O)O.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is FFHWMYUTBRPZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-8-13(15(19)20)11(6-16-8)17-14(18)10-7-21-12-5-3-2-4-9(10)12/h2-6,10,16H,7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid?
4-(2,3-dihydro-1-benzofuran-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82876586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).