N'-(2,3-dihydro-1-benzofuran-5-carbonyl)-1H-pyrrole-2-carbohydrazide

C14H13N3O3 — CID 78851667

IUPACN'-(2,3-dihydro-1-benzofuran-5-carbonyl)-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc[nH]1)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H13N3O3/c18-13(16-17-14(19)11-2-1-6-15-11)10-3-4-12-9(8-10)5-7-20-12/h1-4,6,8,15H,5,7H2,(H,16,18)(H,17,19)
InChIKeyYFMBIVSQDKEWPG-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.02
Rot. Bonds2

About N'-(2,3-dihydro-1-benzofuran-5-carbonyl)-1H-pyrrole-2-carbohydrazide

N'-(2,3-dihydro-1-benzofuran-5-carbonyl)-1H-pyrrole-2-carbohydrazide (PubChem CID 78851667) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N'-(2,3-dihydro-1-benzofuran-5-carbonyl)-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1-benzofuran-5-carbonyl)-1H-pyrrole-2-carbohydrazide
PubChem CID78851667
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN'-(2,3-dihydro-1-benzofuran-5-carbonyl)-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc[nH]1)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H13N3O3/c18-13(16-17-14(19)11-2-1-6-15-11)10-3-4-12-9(8-10)5-7-20-12/h1-4,6,8,15H,5,7H2,(H,16,18)(H,17,19)
InChIKeyYFMBIVSQDKEWPG-UHFFFAOYSA-N
XLogP1.02
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-1H-pyrrole-2-carbohydrazide
CID 78813932
N'-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-5-carbohydrazide
CID 46581863
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 65312218
N-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693454
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
N-(6-iodohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 107848625
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2,3-dihydro-1-benzofuran-5-carbohydrazide
CID 55578936
N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1H-pyrrole-2-carboxamide
CID 166214889
2,3-dihydro-1,4-benzodioxin-6-yl(1H-pyrrol-2-yl)methanone
CID 63750334
N-[3-(cyclopropylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62201269
2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 61261538

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1-benzofuran-5-carbonyl)-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-(2,3-dihydro-1-benzofuran-5-carbonyl)-1H-pyrrole-2-carbohydrazide (CID 78851667) is N'-(2,3-dihydro-1-benzofuran-5-carbonyl)-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-(2,3-dihydro-1-benzofuran-5-carbonyl)-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-(2,3-dihydro-1-benzofuran-5-carbonyl)-1H-pyrrole-2-carbohydrazide is O=C(NNC(=O)c1ccc[nH]1)c1ccc2c(c1)CCO2.
What is the InChIKey of N'-(2,3-dihydro-1-benzofuran-5-carbonyl)-1H-pyrrole-2-carbohydrazide?
The InChIKey is YFMBIVSQDKEWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c18-13(16-17-14(19)11-2-1-6-15-11)10-3-4-12-9(8-10)5-7-20-12/h1-4,6,8,15H,5,7H2,(H,16,18)(H,17,19).
What are the key properties of N'-(2,3-dihydro-1-benzofuran-5-carbonyl)-1H-pyrrole-2-carbohydrazide?
N'-(2,3-dihydro-1-benzofuran-5-carbonyl)-1H-pyrrole-2-carbohydrazide has a molecular weight of 271.28 g/mol, XLogP of 1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1-benzofuran-5-carbonyl)-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 78851667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).