methyl 4-[(E)-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoylhydrazinylidene]methyl]benzoate

C24H25N3O3 — CID 6864320

IUPACmethyl 4-[(E)-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoylhydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(/C=N/NC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1
InChIInChI=1S/C24H25N3O3/c1-30-24(29)18-12-10-17(11-13-18)16-25-26-23(28)14-15-27-21-8-4-2-6-19(21)20-7-3-5-9-22(20)27/h2,4,6,8,10-13,16H,3,5,7,9,14-15H2,1H3,(H,26,28)/b25-16+
InChIKeyBYHWKPUXERTCEM-PCLIKHOPSA-N
MW403.48 g/mol
LogP3.85
Rot. Bonds6

About methyl 4-[(E)-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoylhydrazinylidene]methyl]benzoate

methyl 4-[(E)-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoylhydrazinylidene]methyl]benzoate (PubChem CID 6864320) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is methyl 4-[(E)-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoylhydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(E)-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoylhydrazinylidene]methyl]benzoate
PubChem CID6864320
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Namemethyl 4-[(E)-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoylhydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(/C=N/NC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1
InChIInChI=1S/C24H25N3O3/c1-30-24(29)18-12-10-17(11-13-18)16-25-26-23(28)14-15-27-21-8-4-2-6-19(21)20-7-3-5-9-22(20)27/h2,4,6,8,10-13,16H,3,5,7,9,14-15H2,1H3,(H,26,28)/b25-16+
InChIKeyBYHWKPUXERTCEM-PCLIKHOPSA-N
XLogP3.85
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 4-[(E)-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoylhydrazinylidene]methyl]benzoate with MolForge

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Related Compounds

N-(pyridin-4-ylmethylideneamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
CID 742363
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
CID 136757605
N-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
CID 6888778
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
CID 1385662
N-[(E)-(3-nitrophenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
CID 6888436
3-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propanehydrazide
CID 5223647
3-carbazol-9-yl-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135470781
3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide
CID 45023018
methyl 4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]benzoate
CID 5393689
methyl 4-[[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoate
CID 1185074
methyl 4-[(Z)-(hexadecanoylhydrazinylidene)methyl]benzoate
CID 98298248
methyl 4-[(Z)-[[2-(2-oxo-1-pyridinyl)acetyl]hydrazinylidene]methyl]benzoate
CID 8883336

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(E)-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoylhydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 4-[(E)-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoylhydrazinylidene]methyl]benzoate (CID 6864320) is methyl 4-[(E)-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoylhydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 4-[(E)-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoylhydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 4-[(E)-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoylhydrazinylidene]methyl]benzoate is COC(=O)c1ccc(/C=N/NC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1.
What is the InChIKey of methyl 4-[(E)-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoylhydrazinylidene]methyl]benzoate?
The InChIKey is BYHWKPUXERTCEM-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-30-24(29)18-12-10-17(11-13-18)16-25-26-23(28)14-15-27-21-8-4-2-6-19(21)20-7-3-5-9-22(20)27/h2,4,6,8,10-13,16H,3,5,7,9,14-15H2,1H3,(H,26,28)/b25-16+.
What are the key properties of methyl 4-[(E)-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoylhydrazinylidene]methyl]benzoate?
methyl 4-[(E)-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoylhydrazinylidene]methyl]benzoate has a molecular weight of 403.48 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(E)-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoylhydrazinylidene]methyl]benzoate is sourced from PubChem (CID 6864320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).