N'-(2-indol-1-ylacetyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8-carbohydrazide

C22H23N3O2 — CID 154839562

IUPACN'-(2-indol-1-ylacetyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8-carbohydrazide
SMILESO=C(Cn1ccc2ccccc21)NNC(=O)C1C2C3CC4C5C3CC2C5C41
InChIInChI=1S/C22H23N3O2/c26-16(9-25-6-5-10-3-1-2-4-15(10)25)23-24-22(27)21-18-12-8-13-17-11(12)7-14(18)19(17)20(13)21/h1-6,11-14,17-21H,7-9H2,(H,23,26)(H,24,27)
InChIKeyGWMQVMHBTSXYHO-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.18
Rot. Bonds3

About N'-(2-indol-1-ylacetyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8-carbohydrazide

N'-(2-indol-1-ylacetyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8-carbohydrazide (PubChem CID 154839562) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N'-(2-indol-1-ylacetyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8-carbohydrazide.

Molecular Properties

Compound NameN'-(2-indol-1-ylacetyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8-carbohydrazide
PubChem CID154839562
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN'-(2-indol-1-ylacetyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8-carbohydrazide
SMILESO=C(Cn1ccc2ccccc21)NNC(=O)C1C2C3CC4C5C3CC2C5C41
InChIInChI=1S/C22H23N3O2/c26-16(9-25-6-5-10-3-1-2-4-15(10)25)23-24-22(27)21-18-12-8-13-17-11(12)7-14(18)19(17)20(13)21/h1-6,11-14,17-21H,7-9H2,(H,23,26)(H,24,27)
InChIKeyGWMQVMHBTSXYHO-UHFFFAOYSA-N
XLogP2.18
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
N'-(2-indol-1-ylacetyl)-2-phenylacetohydrazide
CID 17080293
2-[[(2-indol-1-ylacetyl)amino]carbamoyl]benzoic acid
CID 17080252
N'-(2-indol-1-ylacetyl)-2,2-diphenylacetohydrazide
CID 17080273
N'-(2-indol-1-ylacetyl)pyridine-4-carbohydrazide
CID 5116286
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-[2-(2-indol-1-ylacetyl)hydrazinyl]-4-oxobutanamide
CID 7316987
N-[(1-hydroxycyclohexyl)methyl]-2-indol-1-ylacetamide
CID 111485881
N-(cyanomethyl)-2-indol-1-ylacetamide
CID 55220475
N-tert-butyl-2-indol-1-ylacetamide
CID 47348922
potassium 2-indol-1-ylacetate
CID 172851034
N-(benzenesulfonyl)-2-indol-1-ylacetamide
CID 87044187
N-[(4-hydroxyoxan-4-yl)methyl]-2-indol-1-ylacetamide
CID 71989531

Frequently Asked Questions

What is the IUPAC name of N'-(2-indol-1-ylacetyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8-carbohydrazide?
The IUPAC name of N'-(2-indol-1-ylacetyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8-carbohydrazide (CID 154839562) is N'-(2-indol-1-ylacetyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8-carbohydrazide.
What is the SMILES notation for N'-(2-indol-1-ylacetyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8-carbohydrazide?
The canonical SMILES for N'-(2-indol-1-ylacetyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8-carbohydrazide is O=C(Cn1ccc2ccccc21)NNC(=O)C1C2C3CC4C5C3CC2C5C41.
What is the InChIKey of N'-(2-indol-1-ylacetyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8-carbohydrazide?
The InChIKey is GWMQVMHBTSXYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-16(9-25-6-5-10-3-1-2-4-15(10)25)23-24-22(27)21-18-12-8-13-17-11(12)7-14(18)19(17)20(13)21/h1-6,11-14,17-21H,7-9H2,(H,23,26)(H,24,27).
What are the key properties of N'-(2-indol-1-ylacetyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8-carbohydrazide?
N'-(2-indol-1-ylacetyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8-carbohydrazide has a molecular weight of 361.45 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-indol-1-ylacetyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8-carbohydrazide is sourced from PubChem (CID 154839562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).