3-(indol-1-ylmethyl)furan-2-carbohydrazide

C14H13N3O2 — CID 63579906

IUPAC3-(indol-1-ylmethyl)furan-2-carbohydrazide
SMILESNNC(=O)c1occc1Cn1ccc2ccccc21
InChIInChI=1S/C14H13N3O2/c15-16-14(18)13-11(6-8-19-13)9-17-7-5-10-3-1-2-4-12(10)17/h1-8H,9,15H2,(H,16,18)
InChIKeyXFLHZFIPMORXNU-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.89
Rot. Bonds3

About 3-(indol-1-ylmethyl)furan-2-carbohydrazide

3-(indol-1-ylmethyl)furan-2-carbohydrazide (PubChem CID 63579906) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-(indol-1-ylmethyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name3-(indol-1-ylmethyl)furan-2-carbohydrazide
PubChem CID63579906
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name3-(indol-1-ylmethyl)furan-2-carbohydrazide
SMILESNNC(=O)c1occc1Cn1ccc2ccccc21
InChIInChI=1S/C14H13N3O2/c15-16-14(18)13-11(6-8-19-13)9-17-7-5-10-3-1-2-4-12(10)17/h1-8H,9,15H2,(H,16,18)
InChIKeyXFLHZFIPMORXNU-UHFFFAOYSA-N
XLogP1.89
TPSA73.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.89
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 3-(indol-1-ylmethyl)furan-2-carbohydrazide?
The IUPAC name of 3-(indol-1-ylmethyl)furan-2-carbohydrazide (CID 63579906) is 3-(indol-1-ylmethyl)furan-2-carbohydrazide.
What is the SMILES notation for 3-(indol-1-ylmethyl)furan-2-carbohydrazide?
The canonical SMILES for 3-(indol-1-ylmethyl)furan-2-carbohydrazide is NNC(=O)c1occc1Cn1ccc2ccccc21.
What is the InChIKey of 3-(indol-1-ylmethyl)furan-2-carbohydrazide?
The InChIKey is XFLHZFIPMORXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-16-14(18)13-11(6-8-19-13)9-17-7-5-10-3-1-2-4-12(10)17/h1-8H,9,15H2,(H,16,18).
What are the key properties of 3-(indol-1-ylmethyl)furan-2-carbohydrazide?
3-(indol-1-ylmethyl)furan-2-carbohydrazide has a molecular weight of 255.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(indol-1-ylmethyl)furan-2-carbohydrazide is sourced from PubChem (CID 63579906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).