2-[(2-cyanopyrrol-1-yl)methyl]-1-benzofuran-3-carbohydrazide

C15H12N4O2 — CID 114655488

IUPAC2-[(2-cyanopyrrol-1-yl)methyl]-1-benzofuran-3-carbohydrazide
SMILESN#Cc1cccn1Cc1oc2ccccc2c1C(=O)NN
InChIInChI=1S/C15H12N4O2/c16-8-10-4-3-7-19(10)9-13-14(15(20)18-17)11-5-1-2-6-12(11)21-13/h1-7H,9,17H2,(H,18,20)
InChIKeyDONRKUKKCQGQRB-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.76
Rot. Bonds3

About 2-[(2-cyanopyrrol-1-yl)methyl]-1-benzofuran-3-carbohydrazide

2-[(2-cyanopyrrol-1-yl)methyl]-1-benzofuran-3-carbohydrazide (PubChem CID 114655488) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-[(2-cyanopyrrol-1-yl)methyl]-1-benzofuran-3-carbohydrazide.

Molecular Properties

Compound Name2-[(2-cyanopyrrol-1-yl)methyl]-1-benzofuran-3-carbohydrazide
PubChem CID114655488
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name2-[(2-cyanopyrrol-1-yl)methyl]-1-benzofuran-3-carbohydrazide
SMILESN#Cc1cccn1Cc1oc2ccccc2c1C(=O)NN
InChIInChI=1S/C15H12N4O2/c16-8-10-4-3-7-19(10)9-13-14(15(20)18-17)11-5-1-2-6-12(11)21-13/h1-7H,9,17H2,(H,18,20)
InChIKeyDONRKUKKCQGQRB-UHFFFAOYSA-N
XLogP1.76
TPSA96.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-pyrrol-1-yl)-1-benzofuran-2-carbohydrazide
CID 1480739
2-[(6-Fluoroindol-1-yl)methyl]furan-3-carbohydrazide
CID 63578843
5-[(6-Fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63578845
5-[(6-Fluoroindol-1-yl)methyl]furan-3-carbohydrazide
CID 63579022
2-[(5-Fluoroindol-1-yl)methyl]furan-3-carbohydrazide
CID 63851304
5-[(5-Fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63851484
5-[(5-Fluoroindol-1-yl)methyl]furan-3-carbohydrazide
CID 63851650
5-[(4-Fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 82782626
2-[(4-Fluoroindol-1-yl)methyl]furan-3-carbohydrazide
CID 82791544
5-[(4-Fluoroindol-1-yl)methyl]furan-3-carbohydrazide
CID 82792816
(Z)-3-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
CID 133568150
1-methyl-N-[3-[(2-methyl-1-benzofuran-3-carbonyl)amino]-4-phenylbutyl]pyrrole-2-carboxamide
CID 67248020

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanopyrrol-1-yl)methyl]-1-benzofuran-3-carbohydrazide?
The IUPAC name of 2-[(2-cyanopyrrol-1-yl)methyl]-1-benzofuran-3-carbohydrazide (CID 114655488) is 2-[(2-cyanopyrrol-1-yl)methyl]-1-benzofuran-3-carbohydrazide.
What is the SMILES notation for 2-[(2-cyanopyrrol-1-yl)methyl]-1-benzofuran-3-carbohydrazide?
The canonical SMILES for 2-[(2-cyanopyrrol-1-yl)methyl]-1-benzofuran-3-carbohydrazide is N#Cc1cccn1Cc1oc2ccccc2c1C(=O)NN.
What is the InChIKey of 2-[(2-cyanopyrrol-1-yl)methyl]-1-benzofuran-3-carbohydrazide?
The InChIKey is DONRKUKKCQGQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c16-8-10-4-3-7-19(10)9-13-14(15(20)18-17)11-5-1-2-6-12(11)21-13/h1-7H,9,17H2,(H,18,20).
What are the key properties of 2-[(2-cyanopyrrol-1-yl)methyl]-1-benzofuran-3-carbohydrazide?
2-[(2-cyanopyrrol-1-yl)methyl]-1-benzofuran-3-carbohydrazide has a molecular weight of 280.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanopyrrol-1-yl)methyl]-1-benzofuran-3-carbohydrazide is sourced from PubChem (CID 114655488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).