2-(7-carboxy-2-oxoheptanehydrazonoyl)benzoic acid

C15H18N2O5 — CID 140579309

IUPAC2-(7-carboxy-2-oxoheptanehydrazonoyl)benzoic acid
SMILESNN=C(C(=O)CCCCCC(=O)O)c1ccccc1C(=O)O
InChIInChI=1S/C15H18N2O5/c16-17-14(10-6-4-5-7-11(10)15(21)22)12(18)8-2-1-3-9-13(19)20/h4-7H,1-3,8-9,16H2,(H,19,20)(H,21,22)
InChIKeyKOMQEUJGOSLHJF-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.65
Rot. Bonds9

About 2-(7-carboxy-2-oxoheptanehydrazonoyl)benzoic acid

2-(7-carboxy-2-oxoheptanehydrazonoyl)benzoic acid (PubChem CID 140579309) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-(7-carboxy-2-oxoheptanehydrazonoyl)benzoic acid.

Molecular Properties

Compound Name2-(7-carboxy-2-oxoheptanehydrazonoyl)benzoic acid
PubChem CID140579309
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name2-(7-carboxy-2-oxoheptanehydrazonoyl)benzoic acid
SMILESNN=C(C(=O)CCCCCC(=O)O)c1ccccc1C(=O)O
InChIInChI=1S/C15H18N2O5/c16-17-14(10-6-4-5-7-11(10)15(21)22)12(18)8-2-1-3-9-13(19)20/h4-7H,1-3,8-9,16H2,(H,19,20)(H,21,22)
InChIKeyKOMQEUJGOSLHJF-UHFFFAOYSA-N
XLogP1.65
TPSA130.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

decanedioic acid;phthalic acid
CID 67564124
hexanedioic acid;phthalic acid;prop-1-ene
CID 70426340
2-(17-carboxyheptadecyl)benzoic acid
CID 19770577
sodium;butanedioic acid;hydride;phthalic acid
CID 174701100
bis(6-methylheptanoic acid);phthalic acid
CID 175128807
1,1'-biphenyl;decanedioic acid;hydrazine
CID 159076350
2-(2-oxotetradecanoyl)benzoic acid
CID 139595618
hexanamide;phthalic acid
CID 159778698
2-[2-(2-carboxyphenoxy)propan-2-yloxy]benzoic acid;decanedioic acid
CID 161061967
methanediol;phthalic acid
CID 70525231
decane;phthalic acid
CID 158763790
butanedioic acid;2-hydroxybenzoic acid
CID 68741404

Frequently Asked Questions

What is the IUPAC name of 2-(7-carboxy-2-oxoheptanehydrazonoyl)benzoic acid?
The IUPAC name of 2-(7-carboxy-2-oxoheptanehydrazonoyl)benzoic acid (CID 140579309) is 2-(7-carboxy-2-oxoheptanehydrazonoyl)benzoic acid.
What is the SMILES notation for 2-(7-carboxy-2-oxoheptanehydrazonoyl)benzoic acid?
The canonical SMILES for 2-(7-carboxy-2-oxoheptanehydrazonoyl)benzoic acid is NN=C(C(=O)CCCCCC(=O)O)c1ccccc1C(=O)O.
What is the InChIKey of 2-(7-carboxy-2-oxoheptanehydrazonoyl)benzoic acid?
The InChIKey is KOMQEUJGOSLHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c16-17-14(10-6-4-5-7-11(10)15(21)22)12(18)8-2-1-3-9-13(19)20/h4-7H,1-3,8-9,16H2,(H,19,20)(H,21,22).
What are the key properties of 2-(7-carboxy-2-oxoheptanehydrazonoyl)benzoic acid?
2-(7-carboxy-2-oxoheptanehydrazonoyl)benzoic acid has a molecular weight of 306.32 g/mol, XLogP of 1.65, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-carboxy-2-oxoheptanehydrazonoyl)benzoic acid is sourced from PubChem (CID 140579309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).