7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid

C14H18N2O4 — CID 135777450

IUPAC7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
SMILESO=C(O)CCCCCC(=O)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C14H18N2O4/c17-12-8-6-11(7-9-12)10-15-16-13(18)4-2-1-3-5-14(19)20/h6-10,17H,1-5H2,(H,16,18)(H,19,20)/b15-10+
InChIKeyNJAPFTONNGUJLU-XNTDXEJSSA-N
MW278.31 g/mol
LogP1.88
Rot. Bonds8

About 7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid

7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid (PubChem CID 135777450) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid.

Molecular Properties

Compound Name7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
PubChem CID135777450
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
SMILESO=C(O)CCCCCC(=O)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C14H18N2O4/c17-12-8-6-11(7-9-12)10-15-16-13(18)4-2-1-3-5-14(19)20/h6-10,17H,1-5H2,(H,16,18)(H,19,20)/b15-10+
InChIKeyNJAPFTONNGUJLU-XNTDXEJSSA-N
XLogP1.88
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide
CID 135883129
N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
7-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 23749398
4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide
CID 136668789
N-[(4-hydroxyphenyl)methylideneamino]pentanamide
CID 4590132
6-oxo-6-[(2E)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]hexanoic acid
CID 44621714
7-[(2E)-2-[[4-(2-hydroxyethoxy)phenyl]methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 23864469
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide
CID 3539768
N,N'-bis[(Z)-(4-fluorophenyl)methylideneamino]decanediamide
CID 6277081
7-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-7-oxoheptanoic acid
CID 23778466
8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 135757722

Frequently Asked Questions

What is the IUPAC name of 7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid?
The IUPAC name of 7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid (CID 135777450) is 7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid.
What is the SMILES notation for 7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid?
The canonical SMILES for 7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid is O=C(O)CCCCCC(=O)N/N=C/c1ccc(O)cc1.
What is the InChIKey of 7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid?
The InChIKey is NJAPFTONNGUJLU-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-12-8-6-11(7-9-12)10-15-16-13(18)4-2-1-3-5-14(19)20/h6-10,17H,1-5H2,(H,16,18)(H,19,20)/b15-10+.
What are the key properties of 7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid?
7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid is sourced from PubChem (CID 135777450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).