9-(benzoylhydrazinylidene)bicyclo[3.3.1]nonane-3-carboxylate

C17H19N2O3- — CID 4108871

IUPAC9-(benzoylhydrazinylidene)bicyclo[3.3.1]nonane-3-carboxylate
SMILESO=C(NN=C1C2CCCC1CC(C(=O)[O-])C2)c1ccccc1
InChIInChI=1S/C17H20N2O3/c20-16(11-5-2-1-3-6-11)19-18-15-12-7-4-8-13(15)10-14(9-12)17(21)22/h1-3,5-6,12-14H,4,7-10H2,(H,19,20)(H,21,22)/p-1/b18-15-
InChIKeyAXFPWIVHCXHDGM-SDXDJHTJSA-M
MW299.35 g/mol
LogP1.35
Rot. Bonds3

About 9-(benzoylhydrazinylidene)bicyclo[3.3.1]nonane-3-carboxylate

9-(benzoylhydrazinylidene)bicyclo[3.3.1]nonane-3-carboxylate (PubChem CID 4108871) has the molecular formula C17H19N2O3- and a molecular weight of 299.35 g/mol. Its IUPAC name is 9-(benzoylhydrazinylidene)bicyclo[3.3.1]nonane-3-carboxylate.

Molecular Properties

Compound Name9-(benzoylhydrazinylidene)bicyclo[3.3.1]nonane-3-carboxylate
PubChem CID4108871
Molecular FormulaC17H19N2O3-
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name9-(benzoylhydrazinylidene)bicyclo[3.3.1]nonane-3-carboxylate
SMILESO=C(NN=C1C2CCCC1CC(C(=O)[O-])C2)c1ccccc1
InChIInChI=1S/C17H20N2O3/c20-16(11-5-2-1-3-6-11)19-18-15-12-7-4-8-13(15)10-14(9-12)17(21)22/h1-3,5-6,12-14H,4,7-10H2,(H,19,20)(H,21,22)/p-1/b18-15-
InChIKeyAXFPWIVHCXHDGM-SDXDJHTJSA-M
XLogP1.35
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-diphenylpropan-2-ylideneamino)-2-fluorobenzamide
CID 3912518
3-methyl-N'-(1-phenylbutylidene)benzohydrazide
CID 5879645
methyl (3Z)-3-(benzoylhydrazinylidene)-2-hexylcyclopentane-1-carboxylate
CID 6103585
N-(1,3-diphenylpropan-2-ylideneamino)-4-fluorobenzamide
CID 4444511
(E)-N'-(4-Phenylbutan-2-ylidene)benzohydrazide
CID 6004735
N'-cyclohexylidenebenzohydrazide
CID 288072
(4Z)-4-phenyl-4-[(4-phenylbenzoyl)hydrazinylidene]butanoic acid
CID 6283479
N-[(2-methylcyclohexylidene)amino]benzamide
CID 280395
ethyl (3Z)-2-ethyl-3-[(3-methylbenzoyl)hydrazinylidene]butanoate
CID 6054754
4-{[(2Z)-2-(1,2-diphenylethylidene)hydrazinyl]carbonyl}benzamide
CID 20407472
1-Benzoyl-2-(1-cyclohexylethylidene)hydrazone
CID 11064640
N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide
CID 6020523

Frequently Asked Questions

What is the IUPAC name of 9-(benzoylhydrazinylidene)bicyclo[3.3.1]nonane-3-carboxylate?
The IUPAC name of 9-(benzoylhydrazinylidene)bicyclo[3.3.1]nonane-3-carboxylate (CID 4108871) is 9-(benzoylhydrazinylidene)bicyclo[3.3.1]nonane-3-carboxylate.
What is the SMILES notation for 9-(benzoylhydrazinylidene)bicyclo[3.3.1]nonane-3-carboxylate?
The canonical SMILES for 9-(benzoylhydrazinylidene)bicyclo[3.3.1]nonane-3-carboxylate is O=C(NN=C1C2CCCC1CC(C(=O)[O-])C2)c1ccccc1.
What is the InChIKey of 9-(benzoylhydrazinylidene)bicyclo[3.3.1]nonane-3-carboxylate?
The InChIKey is AXFPWIVHCXHDGM-SDXDJHTJSA-M. The full InChI is InChI=1S/C17H20N2O3/c20-16(11-5-2-1-3-6-11)19-18-15-12-7-4-8-13(15)10-14(9-12)17(21)22/h1-3,5-6,12-14H,4,7-10H2,(H,19,20)(H,21,22)/p-1/b18-15-.
What are the key properties of 9-(benzoylhydrazinylidene)bicyclo[3.3.1]nonane-3-carboxylate?
9-(benzoylhydrazinylidene)bicyclo[3.3.1]nonane-3-carboxylate has a molecular weight of 299.35 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzoylhydrazinylidene)bicyclo[3.3.1]nonane-3-carboxylate is sourced from PubChem (CID 4108871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).