7-[(2Z)-2-(hexylhydrazinylidene)cyclopentyl]heptanoic acid

C18H34N2O2 — CID 21121995

IUPAC7-[(2Z)-2-(hexylhydrazinylidene)cyclopentyl]heptanoic acid
SMILESCCCCCCN/N=C1/CCCC1CCCCCCC(=O)O
InChIInChI=1S/C18H34N2O2/c1-2-3-4-9-15-19-20-17-13-10-12-16(17)11-7-5-6-8-14-18(21)22/h16,19H,2-15H2,1H3,(H,21,22)/b20-17-
InChIKeyGKYRCDYJDWRJAB-JZJYNLBNSA-N
MW310.48 g/mol
LogP4.74
Rot. Bonds13

About 7-[(2Z)-2-(hexylhydrazinylidene)cyclopentyl]heptanoic acid

7-[(2Z)-2-(hexylhydrazinylidene)cyclopentyl]heptanoic acid (PubChem CID 21121995) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 7-[(2Z)-2-(hexylhydrazinylidene)cyclopentyl]heptanoic acid.

Molecular Properties

Compound Name7-[(2Z)-2-(hexylhydrazinylidene)cyclopentyl]heptanoic acid
PubChem CID21121995
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name7-[(2Z)-2-(hexylhydrazinylidene)cyclopentyl]heptanoic acid
SMILESCCCCCCN/N=C1/CCCC1CCCCCCC(=O)O
InChIInChI=1S/C18H34N2O2/c1-2-3-4-9-15-19-20-17-13-10-12-16(17)11-7-5-6-8-14-18(21)22/h16,19H,2-15H2,1H3,(H,21,22)/b20-17-
InChIKeyGKYRCDYJDWRJAB-JZJYNLBNSA-N
XLogP4.74
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 54.74
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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Frequently Asked Questions

What is the IUPAC name of 7-[(2Z)-2-(hexylhydrazinylidene)cyclopentyl]heptanoic acid?
The IUPAC name of 7-[(2Z)-2-(hexylhydrazinylidene)cyclopentyl]heptanoic acid (CID 21121995) is 7-[(2Z)-2-(hexylhydrazinylidene)cyclopentyl]heptanoic acid.
What is the SMILES notation for 7-[(2Z)-2-(hexylhydrazinylidene)cyclopentyl]heptanoic acid?
The canonical SMILES for 7-[(2Z)-2-(hexylhydrazinylidene)cyclopentyl]heptanoic acid is CCCCCCN/N=C1/CCCC1CCCCCCC(=O)O.
What is the InChIKey of 7-[(2Z)-2-(hexylhydrazinylidene)cyclopentyl]heptanoic acid?
The InChIKey is GKYRCDYJDWRJAB-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-2-3-4-9-15-19-20-17-13-10-12-16(17)11-7-5-6-8-14-18(21)22/h16,19H,2-15H2,1H3,(H,21,22)/b20-17-.
What are the key properties of 7-[(2Z)-2-(hexylhydrazinylidene)cyclopentyl]heptanoic acid?
7-[(2Z)-2-(hexylhydrazinylidene)cyclopentyl]heptanoic acid has a molecular weight of 310.48 g/mol, XLogP of 4.74, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2Z)-2-(hexylhydrazinylidene)cyclopentyl]heptanoic acid is sourced from PubChem (CID 21121995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).