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

C11H17N3O2 — CID 63570944

IUPAC5-[(2-methylpyrrolidin-1-yl)methyl]furan-3-carbohydrazide
SMILESCC1CCCN1Cc1cc(C(=O)NN)co1
InChIInChI=1S/C11H17N3O2/c1-8-3-2-4-14(8)6-10-5-9(7-16-10)11(15)13-12/h5,7-8H,2-4,6,12H2,1H3,(H,13,15)
InChIKeyXXCFRDMKQDSAQJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.87
Rot. Bonds3

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

5-[(2-methylpyrrolidin-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 63570944) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-[(2-methylpyrrolidin-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2-methylpyrrolidin-1-yl)methyl]furan-3-carbohydrazide
PubChem CID63570944
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-[(2-methylpyrrolidin-1-yl)methyl]furan-3-carbohydrazide
SMILESCC1CCCN1Cc1cc(C(=O)NN)co1
InChIInChI=1S/C11H17N3O2/c1-8-3-2-4-14(8)6-10-5-9(7-16-10)11(15)13-12/h5,7-8H,2-4,6,12H2,1H3,(H,13,15)
InChIKeyXXCFRDMKQDSAQJ-UHFFFAOYSA-N
XLogP0.87
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.87
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-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 63584588
5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 63585207
5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63578224
5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid
CID 55054227
5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 63571860
5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide
CID 64696021
5-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63577370
5-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63581288
5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-3-carbohydrazide
CID 63574178
5-(cyclohexylsulfanylmethyl)furan-3-carbohydrazide
CID 55215056
5-[(3,4-dimethylpiperazin-1-yl)methyl]furan-3-carboxylic acid
CID 63608514
[5-[(2-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
CID 115882863

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpyrrolidin-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(2-methylpyrrolidin-1-yl)methyl]furan-3-carbohydrazide (CID 63570944) is 5-[(2-methylpyrrolidin-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(2-methylpyrrolidin-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(2-methylpyrrolidin-1-yl)methyl]furan-3-carbohydrazide is CC1CCCN1Cc1cc(C(=O)NN)co1.
What is the InChIKey of 5-[(2-methylpyrrolidin-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is XXCFRDMKQDSAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-3-2-4-14(8)6-10-5-9(7-16-10)11(15)13-12/h5,7-8H,2-4,6,12H2,1H3,(H,13,15).
What are the key properties of 5-[(2-methylpyrrolidin-1-yl)methyl]furan-3-carbohydrazide?
5-[(2-methylpyrrolidin-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 223.28 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpyrrolidin-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63570944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).