2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carbohydrazide

C9H11N3O2 — CID 819443

IUPAC2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carbohydrazide
SMILESCc1oc2cc(C(=O)NN)[nH]c2c1C
InChIInChI=1S/C9H11N3O2/c1-4-5(2)14-7-3-6(9(13)12-10)11-8(4)7/h3,11H,10H2,1-2H3,(H,12,13)
InChIKeyAVRIQFPBXAFHBS-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.98
Rot. Bonds1

About 2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carbohydrazide

2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carbohydrazide (PubChem CID 819443) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carbohydrazide.

Molecular Properties

Compound Name2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carbohydrazide
PubChem CID819443
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carbohydrazide
SMILESCc1oc2cc(C(=O)NN)[nH]c2c1C
InChIInChI=1S/C9H11N3O2/c1-4-5(2)14-7-3-6(9(13)12-10)11-8(4)7/h3,11H,10H2,1-2H3,(H,12,13)
InChIKeyAVRIQFPBXAFHBS-UHFFFAOYSA-N
XLogP0.98
TPSA84.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carbohydrazide?
The IUPAC name of 2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carbohydrazide (CID 819443) is 2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carbohydrazide.
What is the SMILES notation for 2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carbohydrazide?
The canonical SMILES for 2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carbohydrazide is Cc1oc2cc(C(=O)NN)[nH]c2c1C.
What is the InChIKey of 2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carbohydrazide?
The InChIKey is AVRIQFPBXAFHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-4-5(2)14-7-3-6(9(13)12-10)11-8(4)7/h3,11H,10H2,1-2H3,(H,12,13).
What are the key properties of 2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carbohydrazide?
2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carbohydrazide has a molecular weight of 193.21 g/mol, XLogP of 0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carbohydrazide is sourced from PubChem (CID 819443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).