[(9Z)-9-hydroxyiminofluoren-4-yl]-piperidin-1-ylmethanone

C19H18N2O2 — CID 5400100

IUPAC[(9Z)-9-hydroxyiminofluoren-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc2c1-c1ccccc1/C2=N/O)N1CCCCC1
InChIInChI=1S/C19H18N2O2/c22-19(21-11-4-1-5-12-21)16-10-6-9-15-17(16)13-7-2-3-8-14(13)18(15)20-23/h2-3,6-10,23H,1,4-5,11-12H2/b20-18-
InChIKeyMBWOTAXKUVDVNQ-ZZEZOPTASA-N
MW306.37 g/mol
LogP3.52
Rot. Bonds1

About [(9Z)-9-hydroxyiminofluoren-4-yl]-piperidin-1-ylmethanone

[(9Z)-9-hydroxyiminofluoren-4-yl]-piperidin-1-ylmethanone (PubChem CID 5400100) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is [(9Z)-9-hydroxyiminofluoren-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(9Z)-9-hydroxyiminofluoren-4-yl]-piperidin-1-ylmethanone
PubChem CID5400100
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name[(9Z)-9-hydroxyiminofluoren-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc2c1-c1ccccc1/C2=N/O)N1CCCCC1
InChIInChI=1S/C19H18N2O2/c22-19(21-11-4-1-5-12-21)16-10-6-9-15-17(16)13-7-2-3-8-14(13)18(15)20-23/h2-3,6-10,23H,1,4-5,11-12H2/b20-18-
InChIKeyMBWOTAXKUVDVNQ-ZZEZOPTASA-N
XLogP3.52
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 [(9Z)-9-hydroxyiminofluoren-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(9Z)-9-hydroxyiminofluoren-4-yl]-piperidin-1-ylmethanone (CID 5400100) is [(9Z)-9-hydroxyiminofluoren-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(9Z)-9-hydroxyiminofluoren-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(9Z)-9-hydroxyiminofluoren-4-yl]-piperidin-1-ylmethanone is O=C(c1cccc2c1-c1ccccc1/C2=N/O)N1CCCCC1.
What is the InChIKey of [(9Z)-9-hydroxyiminofluoren-4-yl]-piperidin-1-ylmethanone?
The InChIKey is MBWOTAXKUVDVNQ-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H18N2O2/c22-19(21-11-4-1-5-12-21)16-10-6-9-15-17(16)13-7-2-3-8-14(13)18(15)20-23/h2-3,6-10,23H,1,4-5,11-12H2/b20-18-.
What are the key properties of [(9Z)-9-hydroxyiminofluoren-4-yl]-piperidin-1-ylmethanone?
[(9Z)-9-hydroxyiminofluoren-4-yl]-piperidin-1-ylmethanone has a molecular weight of 306.37 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(9Z)-9-hydroxyiminofluoren-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 5400100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).