4-[2-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydrazinyl]benzoic acid

C17H20N2O2 — CID 8971361

IUPAC4-[2-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydrazinyl]benzoic acid
SMILESC=C(C)[C@@H]1CC=C(C)C(=NNc2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C17H20N2O2/c1-11(2)14-5-4-12(3)16(10-14)19-18-15-8-6-13(7-9-15)17(20)21/h4,6-9,14,18H,1,5,10H2,2-3H3,(H,20,21)/t14-/m1/s1
InChIKeyYGJIBZCFMSGDCB-CQSZACIVSA-N
MW284.36 g/mol
LogP4.09
Rot. Bonds4

About 4-[2-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydrazinyl]benzoic acid

4-[2-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydrazinyl]benzoic acid (PubChem CID 8971361) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[2-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydrazinyl]benzoic acid
PubChem CID8971361
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[2-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydrazinyl]benzoic acid
SMILESC=C(C)[C@@H]1CC=C(C)C(=NNc2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C17H20N2O2/c1-11(2)14-5-4-12(3)16(10-14)19-18-15-8-6-13(7-9-15)17(20)21/h4,6-9,14,18H,1,5,10H2,2-3H3,(H,20,21)/t14-/m1/s1
InChIKeyYGJIBZCFMSGDCB-CQSZACIVSA-N
XLogP4.09
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[2-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydrazinyl]benzoic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[2-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydrazinyl]benzoic acid
CID 8971356
4-(butanoylamino)-N-[(E)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide
CID 38055725
N'-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-N-phenylbutanediamide
CID 3500280
cis-(1S,2R)-N-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-2-phenylcyclopropane-1-carboxamide
CID 7296101
3-methyl-N-[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide
CID 5337572
2-chloro-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide
CID 4208427
[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino] 4-fluorobenzoate
CID 3959513
2-chloro-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide
CID 681337
N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-nitroaniline
CID 3112322
(1S)-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-2,2-diphenylcyclopropane-1-carboxamide
CID 7428888
2-(4-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
CID 742959
2-(2-methylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide
CID 4041514

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-[2-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydrazinyl]benzoic acid (CID 8971361) is 4-[2-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[2-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[2-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydrazinyl]benzoic acid is C=C(C)[C@@H]1CC=C(C)C(=NNc2ccc(C(=O)O)cc2)C1.
What is the InChIKey of 4-[2-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydrazinyl]benzoic acid?
The InChIKey is YGJIBZCFMSGDCB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11(2)14-5-4-12(3)16(10-14)19-18-15-8-6-13(7-9-15)17(20)21/h4,6-9,14,18H,1,5,10H2,2-3H3,(H,20,21)/t14-/m1/s1.
What are the key properties of 4-[2-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydrazinyl]benzoic acid?
4-[2-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydrazinyl]benzoic acid has a molecular weight of 284.36 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 8971361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).