2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid

C14H16N2O3 — CID 26871360

IUPAC2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid
SMILESO=C(O)c1ccccc1/C=N\NC(=O)C1CCCC1
InChIInChI=1S/C14H16N2O3/c17-13(10-5-1-2-6-10)16-15-9-11-7-3-4-8-12(11)14(18)19/h3-4,7-10H,1-2,5-6H2,(H,16,17)(H,18,19)/b15-9-
InChIKeyNZYOGIROWSPEMQ-DHDCSXOGSA-N
MW260.29 g/mol
LogP2.03
Rot. Bonds4

About 2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid

2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid (PubChem CID 26871360) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid.

Molecular Properties

Compound Name2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid
PubChem CID26871360
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid
SMILESO=C(O)c1ccccc1/C=N\NC(=O)C1CCCC1
InChIInChI=1S/C14H16N2O3/c17-13(10-5-1-2-6-10)16-15-9-11-7-3-4-8-12(11)14(18)19/h3-4,7-10H,1-2,5-6H2,(H,16,17)(H,18,19)/b15-9-
InChIKeyNZYOGIROWSPEMQ-DHDCSXOGSA-N
XLogP2.03
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611
N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 6079987
2-[[[2-(cycloheptylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 3722549
1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide
CID 135977022
N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide
CID 5334576
N-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide
CID 6907933
2-[(Z)-[(2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid
CID 5426518
2-[(Z)-(phenylcarbamothioylhydrazinylidene)methyl]benzoic acid
CID 6311480
N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]cyclohexanecarboxamide
CID 135615209
2-[[[5-[(2Z)-2-[(2-carboxyphenyl)methylidene]hydrazinyl]-5-oxopentanoyl]hydrazinylidene]methyl]benzoic acid
CID 5380791
2-[(E)-(oxamoylhydrazinylidene)methyl]benzoic acid
CID 6907785
2-[(E)-[[5-[(2Z)-2-[(2-carboxyphenyl)methylidene]hydrazinyl]-5-oxopentanoyl]hydrazinylidene]methyl]benzoic acid
CID 6861545

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid?
The IUPAC name of 2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid (CID 26871360) is 2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid.
What is the SMILES notation for 2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid?
The canonical SMILES for 2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid is O=C(O)c1ccccc1/C=N\NC(=O)C1CCCC1.
What is the InChIKey of 2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid?
The InChIKey is NZYOGIROWSPEMQ-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13(10-5-1-2-6-10)16-15-9-11-7-3-4-8-12(11)14(18)19/h3-4,7-10H,1-2,5-6H2,(H,16,17)(H,18,19)/b15-9-.
What are the key properties of 2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid?
2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid is sourced from PubChem (CID 26871360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).