N'-[2-(1H-indol-3-yl)acetyl]cyclohex-3-ene-1-carbohydrazide

C17H19N3O2 — CID 46656997

IUPACN'-[2-(1H-indol-3-yl)acetyl]cyclohex-3-ene-1-carbohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)C1CC=CCC1
InChIInChI=1S/C17H19N3O2/c21-16(19-20-17(22)12-6-2-1-3-7-12)10-13-11-18-15-9-5-4-8-14(13)15/h1-2,4-5,8-9,11-12,18H,3,6-7,10H2,(H,19,21)(H,20,22)
InChIKeySOCUUKMJUXGYBI-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.21
Rot. Bonds3

About N'-[2-(1H-indol-3-yl)acetyl]cyclohex-3-ene-1-carbohydrazide

N'-[2-(1H-indol-3-yl)acetyl]cyclohex-3-ene-1-carbohydrazide (PubChem CID 46656997) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)acetyl]cyclohex-3-ene-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)acetyl]cyclohex-3-ene-1-carbohydrazide
PubChem CID46656997
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN'-[2-(1H-indol-3-yl)acetyl]cyclohex-3-ene-1-carbohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)C1CC=CCC1
InChIInChI=1S/C17H19N3O2/c21-16(19-20-17(22)12-6-2-1-3-7-12)10-13-11-18-15-9-5-4-8-14(13)15/h1-2,4-5,8-9,11-12,18H,3,6-7,10H2,(H,19,21)(H,20,22)
InChIKeySOCUUKMJUXGYBI-UHFFFAOYSA-N
XLogP2.21
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(1H-indol-3-yl)acetyl]cyclobutanecarbohydrazide
CID 29437842
N'-(cyclohex-3-ene-1-carbonyl)-1H-indole-3-carbohydrazide
CID 42920037
1-cyclopentyl-2-(1H-indol-3-yl)ethanone
CID 126509630
N-cyclopentyloxy-2-(1H-indol-3-yl)acetamide
CID 83202752
N'-[2-(1H-indol-3-yl)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 42905192
N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide
CID 18164303
2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide
CID 102603627
N'-[2-(1H-indol-3-yl)acetyl]naphthalene-2-carbohydrazide
CID 31828968
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
2-(2-bicyclo[2.2.1]heptanyl)-N'-[2-(1H-indol-3-yl)acetyl]acetohydrazide
CID 51166897
1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea
CID 5058781

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]cyclohex-3-ene-1-carbohydrazide?
The IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]cyclohex-3-ene-1-carbohydrazide (CID 46656997) is N'-[2-(1H-indol-3-yl)acetyl]cyclohex-3-ene-1-carbohydrazide.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)acetyl]cyclohex-3-ene-1-carbohydrazide?
The canonical SMILES for N'-[2-(1H-indol-3-yl)acetyl]cyclohex-3-ene-1-carbohydrazide is O=C(Cc1c[nH]c2ccccc12)NNC(=O)C1CC=CCC1.
What is the InChIKey of N'-[2-(1H-indol-3-yl)acetyl]cyclohex-3-ene-1-carbohydrazide?
The InChIKey is SOCUUKMJUXGYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-16(19-20-17(22)12-6-2-1-3-7-12)10-13-11-18-15-9-5-4-8-14(13)15/h1-2,4-5,8-9,11-12,18H,3,6-7,10H2,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(1H-indol-3-yl)acetyl]cyclohex-3-ene-1-carbohydrazide?
N'-[2-(1H-indol-3-yl)acetyl]cyclohex-3-ene-1-carbohydrazide has a molecular weight of 297.36 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-indol-3-yl)acetyl]cyclohex-3-ene-1-carbohydrazide is sourced from PubChem (CID 46656997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).