4-(1-methylindol-3-yl)cyclohex-3-ene-1-carbohydrazide

C16H19N3O — CID 84613014

IUPAC4-(1-methylindol-3-yl)cyclohex-3-ene-1-carbohydrazide
SMILESCn1cc(C2=CCC(C(=O)NN)CC2)c2ccccc21
InChIInChI=1S/C16H19N3O/c1-19-10-14(13-4-2-3-5-15(13)19)11-6-8-12(9-7-11)16(20)18-17/h2-6,10,12H,7-9,17H2,1H3,(H,18,20)
InChIKeyQQWTYEBQQALKNW-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.35
Rot. Bonds2

About 4-(1-methylindol-3-yl)cyclohex-3-ene-1-carbohydrazide

4-(1-methylindol-3-yl)cyclohex-3-ene-1-carbohydrazide (PubChem CID 84613014) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-(1-methylindol-3-yl)cyclohex-3-ene-1-carbohydrazide.

Molecular Properties

Compound Name4-(1-methylindol-3-yl)cyclohex-3-ene-1-carbohydrazide
PubChem CID84613014
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-(1-methylindol-3-yl)cyclohex-3-ene-1-carbohydrazide
SMILESCn1cc(C2=CCC(C(=O)NN)CC2)c2ccccc21
InChIInChI=1S/C16H19N3O/c1-19-10-14(13-4-2-3-5-15(13)19)11-6-8-12(9-7-11)16(20)18-17/h2-6,10,12H,7-9,17H2,1H3,(H,18,20)
InChIKeyQQWTYEBQQALKNW-UHFFFAOYSA-N
XLogP2.35
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(oxan-4-yl)methanone
CID 113086764
methyl 3-(1-methylindol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 136556964
1-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanone
CID 113086734
3-(1-methylindol-3-yl)cyclohex-2-en-1-one
CID 83537181
4-(4,5,6-trimethyl-4H-thiopyran-3-yl)cyclohex-3-ene-1-carbohydrazide
CID 129140731
(3-chlorophenyl)-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113086743
1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
CID 141098979
N-[8-(methylamino)-5-(1-methylindol-3-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677953
3-amino-1-methyl-1-(1-methylindol-3-yl)urea
CID 115192506
2-(1-methylindol-3-yl)phenol
CID 154709769
[(1R)-cyclohex-3-en-1-yl]-(1-methylindol-3-yl)methanone
CID 95654424
N-(3-aminopropyl)-4-(1-methylindol-3-yl)cyclohexane-1-carboxamide
CID 84613024

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylindol-3-yl)cyclohex-3-ene-1-carbohydrazide?
The IUPAC name of 4-(1-methylindol-3-yl)cyclohex-3-ene-1-carbohydrazide (CID 84613014) is 4-(1-methylindol-3-yl)cyclohex-3-ene-1-carbohydrazide.
What is the SMILES notation for 4-(1-methylindol-3-yl)cyclohex-3-ene-1-carbohydrazide?
The canonical SMILES for 4-(1-methylindol-3-yl)cyclohex-3-ene-1-carbohydrazide is Cn1cc(C2=CCC(C(=O)NN)CC2)c2ccccc21.
What is the InChIKey of 4-(1-methylindol-3-yl)cyclohex-3-ene-1-carbohydrazide?
The InChIKey is QQWTYEBQQALKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19-10-14(13-4-2-3-5-15(13)19)11-6-8-12(9-7-11)16(20)18-17/h2-6,10,12H,7-9,17H2,1H3,(H,18,20).
What are the key properties of 4-(1-methylindol-3-yl)cyclohex-3-ene-1-carbohydrazide?
4-(1-methylindol-3-yl)cyclohex-3-ene-1-carbohydrazide has a molecular weight of 269.35 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylindol-3-yl)cyclohex-3-ene-1-carbohydrazide is sourced from PubChem (CID 84613014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).