3-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide

C12H19N3O2 — CID 79184345

IUPAC3-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide
SMILESCC1CN(Cc2ccoc2C(=O)NN)CC1C
InChIInChI=1S/C12H19N3O2/c1-8-5-15(6-9(8)2)7-10-3-4-17-11(10)12(16)14-13/h3-4,8-9H,5-7,13H2,1-2H3,(H,14,16)
InChIKeyUKPWLISNWRWMGS-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.97
Rot. Bonds3

About 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide

3-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 79184345) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide
PubChem CID79184345
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide
SMILESCC1CN(Cc2ccoc2C(=O)NN)CC1C
InChIInChI=1S/C12H19N3O2/c1-8-5-15(6-9(8)2)7-10-3-4-17-11(10)12(16)14-13/h3-4,8-9H,5-7,13H2,1-2H3,(H,14,16)
InChIKeyUKPWLISNWRWMGS-UHFFFAOYSA-N
XLogP0.97
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.97
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-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide (CID 79184345) is 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide is CC1CN(Cc2ccoc2C(=O)NN)CC1C.
What is the InChIKey of 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is UKPWLISNWRWMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-5-15(6-9(8)2)7-10-3-4-17-11(10)12(16)14-13/h3-4,8-9H,5-7,13H2,1-2H3,(H,14,16).
What are the key properties of 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide?
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 237.30 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 79184345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).