N'-(cyclohex-3-ene-1-carbonyl)-1H-indole-3-carbohydrazide

C16H17N3O2 — CID 42920037

IUPACN'-(cyclohex-3-ene-1-carbonyl)-1H-indole-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC=CCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H17N3O2/c20-15(11-6-2-1-3-7-11)18-19-16(21)13-10-17-14-9-5-4-8-12(13)14/h1-2,4-5,8-11,17H,3,6-7H2,(H,18,20)(H,19,21)
InChIKeyGJSKCCSYVKYBFW-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.29
Rot. Bonds2

About N'-(cyclohex-3-ene-1-carbonyl)-1H-indole-3-carbohydrazide

N'-(cyclohex-3-ene-1-carbonyl)-1H-indole-3-carbohydrazide (PubChem CID 42920037) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N'-(cyclohex-3-ene-1-carbonyl)-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(cyclohex-3-ene-1-carbonyl)-1H-indole-3-carbohydrazide
PubChem CID42920037
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN'-(cyclohex-3-ene-1-carbonyl)-1H-indole-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC=CCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H17N3O2/c20-15(11-6-2-1-3-7-11)18-19-16(21)13-10-17-14-9-5-4-8-12(13)14/h1-2,4-5,8-11,17H,3,6-7H2,(H,18,20)(H,19,21)
InChIKeyGJSKCCSYVKYBFW-UHFFFAOYSA-N
XLogP2.29
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.29
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]cyclohex-3-ene-1-carbohydrazide
CID 46656997
N'-[1-(furan-3-carbonyl)piperidine-4-carbonyl]-1H-indole-3-carbohydrazide
CID 35708730
6-(cyclohex-3-ene-1-carbonylamino)-1H-indole-3-carboxylic acid
CID 167836314
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
N'-(1-pyrazin-2-ylpiperidine-4-carbonyl)-1H-indole-3-carbohydrazide
CID 38793783
(1S)-N'-(2-phenylacetyl)cyclohex-3-ene-1-carbohydrazide
CID 766579
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
cyclopropyl(1H-indol-3-yl)methanone
CID 965839
N-(2-hydroxycyclohexyl)-1H-indole-3-carboxamide
CID 55064120
(1R)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide
CID 51983299
(1S,6R)-6-(1H-indole-3-carbonyl)cyclohex-3-ene-1-carboxylate
CID 11859762
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohex-3-ene-1-carbonyl)-1H-indole-3-carbohydrazide?
The IUPAC name of N'-(cyclohex-3-ene-1-carbonyl)-1H-indole-3-carbohydrazide (CID 42920037) is N'-(cyclohex-3-ene-1-carbonyl)-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-(cyclohex-3-ene-1-carbonyl)-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-(cyclohex-3-ene-1-carbonyl)-1H-indole-3-carbohydrazide is O=C(NNC(=O)C1CC=CCC1)c1c[nH]c2ccccc12.
What is the InChIKey of N'-(cyclohex-3-ene-1-carbonyl)-1H-indole-3-carbohydrazide?
The InChIKey is GJSKCCSYVKYBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-15(11-6-2-1-3-7-11)18-19-16(21)13-10-17-14-9-5-4-8-12(13)14/h1-2,4-5,8-11,17H,3,6-7H2,(H,18,20)(H,19,21).
What are the key properties of N'-(cyclohex-3-ene-1-carbonyl)-1H-indole-3-carbohydrazide?
N'-(cyclohex-3-ene-1-carbonyl)-1H-indole-3-carbohydrazide has a molecular weight of 283.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohex-3-ene-1-carbonyl)-1H-indole-3-carbohydrazide is sourced from PubChem (CID 42920037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).