5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide

C12H12N4O2 — CID 114655508

IUPAC5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(Cn2cccc2C#N)cc1C(=O)NN
InChIInChI=1S/C12H12N4O2/c1-8-11(12(17)15-14)5-10(18-8)7-16-4-2-3-9(16)6-13/h2-5H,7,14H2,1H3,(H,15,17)
InChIKeyPNWGHHYQDUDJSR-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.91
Rot. Bonds3

About 5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide

5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide (PubChem CID 114655508) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
PubChem CID114655508
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(Cn2cccc2C#N)cc1C(=O)NN
InChIInChI=1S/C12H12N4O2/c1-8-11(12(17)15-14)5-10(18-8)7-16-4-2-3-9(16)6-13/h2-5H,7,14H2,1H3,(H,15,17)
InChIKeyPNWGHHYQDUDJSR-UHFFFAOYSA-N
XLogP0.91
TPSA96.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.91
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

2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 55213052
2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
CID 55214458
5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 80582970
5-[(2,5-dioxopyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 55214030
5-[(4-cyano-N-methylanilino)methyl]-2-methylfuran-3-carbohydrazide
CID 63572843
5-[(3-chloroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63578350
5-[(3-cyano-N-methylanilino)methyl]-2-methylfuran-3-carbohydrazide
CID 63573992
5-[(6-fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63578845
5-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63810910
2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide
CID 63569059
2-[(2-cyanopyrrol-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 114655488
2-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]furan-3-carbohydrazide
CID 115912145

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide (CID 114655508) is 5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide is Cc1oc(Cn2cccc2C#N)cc1C(=O)NN.
What is the InChIKey of 5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is PNWGHHYQDUDJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-8-11(12(17)15-14)5-10(18-8)7-16-4-2-3-9(16)6-13/h2-5H,7,14H2,1H3,(H,15,17).
What are the key properties of 5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 244.25 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 114655508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).