5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-methylfuran-2-carbohydrazide

C14H21N3O2 — CID 115562526

IUPAC5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-methylfuran-2-carbohydrazide
SMILESCc1cc(CN2CC3CCCC3C2)oc1C(=O)NN
InChIInChI=1S/C14H21N3O2/c1-9-5-12(19-13(9)14(18)16-15)8-17-6-10-3-2-4-11(10)7-17/h5,10-11H,2-4,6-8,15H2,1H3,(H,16,18)
InChIKeyVEPOLTDQPPBFTI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.42
Rot. Bonds3

About 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-methylfuran-2-carbohydrazide

5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-methylfuran-2-carbohydrazide (PubChem CID 115562526) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-methylfuran-2-carbohydrazide
PubChem CID115562526
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-methylfuran-2-carbohydrazide
SMILESCc1cc(CN2CC3CCCC3C2)oc1C(=O)NN
InChIInChI=1S/C14H21N3O2/c1-9-5-12(19-13(9)14(18)16-15)8-17-6-10-3-2-4-11(10)7-17/h5,10-11H,2-4,6-8,15H2,1H3,(H,16,18)
InChIKeyVEPOLTDQPPBFTI-UHFFFAOYSA-N
XLogP1.42
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.42
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
3-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 114540671
3-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide
CID 63572859
1-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 63585162
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
3-methyl-5-[(3-oxo-1,4-diazepan-1-yl)methyl]furan-2-carbohydrazide
CID 65366701
5-[[cycloheptyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 63572192
5-[[cyclohexyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 55214014
3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 63578343
5-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 63571845
5-[(3-cyclobutyloxypiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 138004391

Frequently Asked Questions

What is the IUPAC name of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-methylfuran-2-carbohydrazide?
The IUPAC name of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-methylfuran-2-carbohydrazide (CID 115562526) is 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-methylfuran-2-carbohydrazide.
What is the SMILES notation for 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-methylfuran-2-carbohydrazide?
The canonical SMILES for 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-methylfuran-2-carbohydrazide is Cc1cc(CN2CC3CCCC3C2)oc1C(=O)NN.
What is the InChIKey of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-methylfuran-2-carbohydrazide?
The InChIKey is VEPOLTDQPPBFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-5-12(19-13(9)14(18)16-15)8-17-6-10-3-2-4-11(10)7-17/h5,10-11H,2-4,6-8,15H2,1H3,(H,16,18).
What are the key properties of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-methylfuran-2-carbohydrazide?
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-methylfuran-2-carbohydrazide has a molecular weight of 263.34 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-methylfuran-2-carbohydrazide is sourced from PubChem (CID 115562526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).