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

C12H19N3O2 — CID 63572859

IUPAC3-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide
SMILESCc1cc(CN2CCC(C)C2)oc1C(=O)NN
InChIInChI=1S/C12H19N3O2/c1-8-3-4-15(6-8)7-10-5-9(2)11(17-10)12(16)14-13/h5,8H,3-4,6-7,13H2,1-2H3,(H,14,16)
InChIKeyJSYFTRUKDGWPAE-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.03
Rot. Bonds3

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

3-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 63572859) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide
PubChem CID63572859
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide
SMILESCc1cc(CN2CCC(C)C2)oc1C(=O)NN
InChIInChI=1S/C12H19N3O2/c1-8-3-4-15(6-8)7-10-5-9(2)11(17-10)12(16)14-13/h5,8H,3-4,6-7,13H2,1-2H3,(H,14,16)
InChIKeyJSYFTRUKDGWPAE-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
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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Related Compounds

5-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 55213233
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-methylfuran-2-carbohydrazide
CID 115562526
3-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 114540671
1-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 63585162
3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 43621030
5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide
CID 63571130
5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 63572468
methyl 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate
CID 62063570
3-methyl-5-[(3-oxo-1,4-diazepan-1-yl)methyl]furan-2-carbohydrazide
CID 65366701
methyl 5-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-3-methylfuran-2-carboxylate
CID 115314384
5-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 63571845
2-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63625273

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 3-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide (CID 63572859) is 3-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide is Cc1cc(CN2CCC(C)C2)oc1C(=O)NN.
What is the InChIKey of 3-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is JSYFTRUKDGWPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-3-4-15(6-8)7-10-5-9(2)11(17-10)12(16)14-13/h5,8H,3-4,6-7,13H2,1-2H3,(H,14,16).
What are the key properties of 3-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide?
3-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 237.30 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63572859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).