5-[(3-methylindol-1-yl)methyl]furan-2-carbohydrazide

C15H15N3O2 — CID 63577239

IUPAC5-[(3-methylindol-1-yl)methyl]furan-2-carbohydrazide
SMILESCc1cn(Cc2ccc(C(=O)NN)o2)c2ccccc12
InChIInChI=1S/C15H15N3O2/c1-10-8-18(13-5-3-2-4-12(10)13)9-11-6-7-14(20-11)15(19)17-16/h2-8H,9,16H2,1H3,(H,17,19)
InChIKeyYUHCKQWZNBLMRO-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.19
Rot. Bonds3

About 5-[(3-methylindol-1-yl)methyl]furan-2-carbohydrazide

5-[(3-methylindol-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 63577239) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-[(3-methylindol-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(3-methylindol-1-yl)methyl]furan-2-carbohydrazide
PubChem CID63577239
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-[(3-methylindol-1-yl)methyl]furan-2-carbohydrazide
SMILESCc1cn(Cc2ccc(C(=O)NN)o2)c2ccccc12
InChIInChI=1S/C15H15N3O2/c1-10-8-18(13-5-3-2-4-12(10)13)9-11-6-7-14(20-11)15(19)17-16/h2-8H,9,16H2,1H3,(H,17,19)
InChIKeyYUHCKQWZNBLMRO-UHFFFAOYSA-N
XLogP2.19
TPSA73.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylindol-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(3-methylindol-1-yl)methyl]furan-2-carbohydrazide (CID 63577239) is 5-[(3-methylindol-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(3-methylindol-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(3-methylindol-1-yl)methyl]furan-2-carbohydrazide is Cc1cn(Cc2ccc(C(=O)NN)o2)c2ccccc12.
What is the InChIKey of 5-[(3-methylindol-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is YUHCKQWZNBLMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-8-18(13-5-3-2-4-12(10)13)9-11-6-7-14(20-11)15(19)17-16/h2-8H,9,16H2,1H3,(H,17,19).
What are the key properties of 5-[(3-methylindol-1-yl)methyl]furan-2-carbohydrazide?
5-[(3-methylindol-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 269.30 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylindol-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63577239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).