4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]benzoic acid

C18H18N2O2 — CID 9013002

IUPAC4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]benzoic acid
SMILESO=C(O)c1ccc(N/N=C2\CCCCc3ccccc32)cc1
InChIInChI=1S/C18H18N2O2/c21-18(22)14-9-11-15(12-10-14)19-20-17-8-4-2-6-13-5-1-3-7-16(13)17/h1,3,5,7,9-12,19H,2,4,6,8H2,(H,21,22)/b20-17+
InChIKeyQMXKHPAISHXGCE-LVZFUZTISA-N
MW294.35 g/mol
LogP3.93
Rot. Bonds3

About 4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]benzoic acid

4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]benzoic acid (PubChem CID 9013002) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]benzoic acid
PubChem CID9013002
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]benzoic acid
SMILESO=C(O)c1ccc(N/N=C2\CCCCc3ccccc32)cc1
InChIInChI=1S/C18H18N2O2/c21-18(22)14-9-11-15(12-10-14)19-20-17-8-4-2-6-13-5-1-3-7-16(13)17/h1,3,5,7,9-12,19H,2,4,6,8H2,(H,21,22)/b20-17+
InChIKeyQMXKHPAISHXGCE-LVZFUZTISA-N
XLogP3.93
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.93
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

2-chloro-5-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]benzoic acid
CID 6217133
4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoic acid
CID 9013359
4-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid
CID 154862519
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-phenylacetamide
CID 5395791
2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide
CID 3419131
4-(cyclopropanecarbonylamino)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide
CID 5419553
N-[(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]aniline
CID 54610436
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxy-2-phenylacetamide
CID 2851357
2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide
CID 6525291
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide
CID 4999116
4-[[3-methyl-4-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)but-2-enoyl]amino]benzoic acid
CID 72598603
2-(4-methoxyanilino)-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]acetamide
CID 7933100

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]benzoic acid?
The IUPAC name of 4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]benzoic acid (CID 9013002) is 4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]benzoic acid?
The canonical SMILES for 4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]benzoic acid is O=C(O)c1ccc(N/N=C2\CCCCc3ccccc32)cc1.
What is the InChIKey of 4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]benzoic acid?
The InChIKey is QMXKHPAISHXGCE-LVZFUZTISA-N. The full InChI is InChI=1S/C18H18N2O2/c21-18(22)14-9-11-15(12-10-14)19-20-17-8-4-2-6-13-5-1-3-7-16(13)17/h1,3,5,7,9-12,19H,2,4,6,8H2,(H,21,22)/b20-17+.
What are the key properties of 4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]benzoic acid?
4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]benzoic acid has a molecular weight of 294.35 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]benzoic acid is sourced from PubChem (CID 9013002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).