5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-3-carbohydrazide

C12H19N3O4 — CID 103540560

IUPAC5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-3-carbohydrazide
SMILESCOC1CN(Cc2cc(C(=O)NN)co2)CC1OC
InChIInChI=1S/C12H19N3O4/c1-17-10-5-15(6-11(10)18-2)4-9-3-8(7-19-9)12(16)14-13/h3,7,10-11H,4-6,13H2,1-2H3,(H,14,16)
InChIKeyYSXURWXVBUMQRK-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.27
Rot. Bonds5

About 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-3-carbohydrazide

5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 103540560) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-3-carbohydrazide
PubChem CID103540560
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-3-carbohydrazide
SMILESCOC1CN(Cc2cc(C(=O)NN)co2)CC1OC
InChIInChI=1S/C12H19N3O4/c1-17-10-5-15(6-11(10)18-2)4-9-3-8(7-19-9)12(16)14-13/h3,7,10-11H,4-6,13H2,1-2H3,(H,14,16)
InChIKeyYSXURWXVBUMQRK-UHFFFAOYSA-N
XLogP-0.27
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-3-carbohydrazide (CID 103540560) is 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-3-carbohydrazide is COC1CN(Cc2cc(C(=O)NN)co2)CC1OC.
What is the InChIKey of 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is YSXURWXVBUMQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-17-10-5-15(6-11(10)18-2)4-9-3-8(7-19-9)12(16)14-13/h3,7,10-11H,4-6,13H2,1-2H3,(H,14,16).
What are the key properties of 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-3-carbohydrazide?
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 269.30 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 103540560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).