8-(2-cycloheptylidenehydrazinyl)-8-oxooctanoic acid

C15H26N2O3 — CID 23948167

IUPAC8-(2-cycloheptylidenehydrazinyl)-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)NN=C1CCCCCC1
InChIInChI=1S/C15H26N2O3/c18-14(11-7-3-4-8-12-15(19)20)17-16-13-9-5-1-2-6-10-13/h1-12H2,(H,17,18)(H,19,20)
InChIKeyMRDUHKJSRKONKB-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.24
Rot. Bonds8

About 8-(2-cycloheptylidenehydrazinyl)-8-oxooctanoic acid

8-(2-cycloheptylidenehydrazinyl)-8-oxooctanoic acid (PubChem CID 23948167) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 8-(2-cycloheptylidenehydrazinyl)-8-oxooctanoic acid.

Molecular Properties

Compound Name8-(2-cycloheptylidenehydrazinyl)-8-oxooctanoic acid
PubChem CID23948167
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name8-(2-cycloheptylidenehydrazinyl)-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)NN=C1CCCCCC1
InChIInChI=1S/C15H26N2O3/c18-14(11-7-3-4-8-12-15(19)20)17-16-13-9-5-1-2-6-10-13/h1-12H2,(H,17,18)(H,19,20)
InChIKeyMRDUHKJSRKONKB-UHFFFAOYSA-N
XLogP3.24
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(cyclohexylideneamino)heptanediamide
CID 4048049
N-(cyclododecylideneamino)dodecanamide
CID 4575376
N-(cycloheptylideneamino)pentanamide
CID 3533607
N,N'-bis[(4-methylcyclohexylidene)amino]heptanediamide
CID 3519656
N-(cyclododecylideneamino)-2-piperidin-1-ium-1-ylacetamide
CID 6945486
N-(cyclohexylideneamino)-2-pyridin-1-ium-1-ylacetamide
CID 146021718
N-[(4-propylcyclohexylidene)amino]undecanamide
CID 4226269
N-(cyclopentylideneamino)-3-methylbutanamide
CID 5165993
N,N'-bis[(2-methylcyclohexylidene)amino]heptanediamide
CID 4657097
N,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide
CID 4198414
N-(cyclohexylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide
CID 7955784
N-(cyclooctylideneamino)-3-(4-methylphenyl)sulfanylpropanamide
CID 126125374

Frequently Asked Questions

What is the IUPAC name of 8-(2-cycloheptylidenehydrazinyl)-8-oxooctanoic acid?
The IUPAC name of 8-(2-cycloheptylidenehydrazinyl)-8-oxooctanoic acid (CID 23948167) is 8-(2-cycloheptylidenehydrazinyl)-8-oxooctanoic acid.
What is the SMILES notation for 8-(2-cycloheptylidenehydrazinyl)-8-oxooctanoic acid?
The canonical SMILES for 8-(2-cycloheptylidenehydrazinyl)-8-oxooctanoic acid is O=C(O)CCCCCCC(=O)NN=C1CCCCCC1.
What is the InChIKey of 8-(2-cycloheptylidenehydrazinyl)-8-oxooctanoic acid?
The InChIKey is MRDUHKJSRKONKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(11-7-3-4-8-12-15(19)20)17-16-13-9-5-1-2-6-10-13/h1-12H2,(H,17,18)(H,19,20).
What are the key properties of 8-(2-cycloheptylidenehydrazinyl)-8-oxooctanoic acid?
8-(2-cycloheptylidenehydrazinyl)-8-oxooctanoic acid has a molecular weight of 282.38 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-cycloheptylidenehydrazinyl)-8-oxooctanoic acid is sourced from PubChem (CID 23948167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).