3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone

C14H18FN3O — CID 113336142

IUPAC3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone
SMILESNNc1c(F)cccc1C(=O)N1CC2CCCC2C1
InChIInChI=1S/C14H18FN3O/c15-12-6-2-5-11(13(12)17-16)14(19)18-7-9-3-1-4-10(9)8-18/h2,5-6,9-10,17H,1,3-4,7-8,16H2
InChIKeyUGNULGXAKUNUBA-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.98
Rot. Bonds2

About 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone (PubChem CID 113336142) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone
PubChem CID113336142
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone
SMILESNNc1c(F)cccc1C(=O)N1CC2CCCC2C1
InChIInChI=1S/C14H18FN3O/c15-12-6-2-5-11(13(12)17-16)14(19)18-7-9-3-1-4-10(9)8-18/h2,5-6,9-10,17H,1,3-4,7-8,16H2
InChIKeyUGNULGXAKUNUBA-UHFFFAOYSA-N
XLogP1.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone (CID 113336142) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone is NNc1c(F)cccc1C(=O)N1CC2CCCC2C1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone?
The InChIKey is UGNULGXAKUNUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-12-6-2-5-11(13(12)17-16)14(19)18-7-9-3-1-4-10(9)8-18/h2,5-6,9-10,17H,1,3-4,7-8,16H2.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone?
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone has a molecular weight of 263.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone is sourced from PubChem (CID 113336142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).