[(2E)-2-[1-[3-(2-acetylcyclopentyl)propyl]-3,3-dimethylindol-2-ylidene]ethylidene]-dimethylazanium

C24H35N2O+ — CID 59004884

IUPAC[(2E)-2-[1-[3-(2-acetylcyclopentyl)propyl]-3,3-dimethylindol-2-ylidene]ethylidene]-dimethylazanium
SMILESCC(=O)C1CCCC1CCCN1/C(=C/C=[N+](C)C)C(C)(C)c2ccccc21
InChIInChI=1S/C24H35N2O/c1-18(27)20-12-8-10-19(20)11-9-16-26-22-14-7-6-13-21(22)24(2,3)23(26)15-17-25(4)5/h6-7,13-15,17,19-20H,8-12,16H2,1-5H3/q+1
InChIKeyPVMJOBKOZVEDCH-UHFFFAOYSA-N
MW367.56 g/mol
LogP4.80
Rot. Bonds6

About [(2E)-2-[1-[3-(2-acetylcyclopentyl)propyl]-3,3-dimethylindol-2-ylidene]ethylidene]-dimethylazanium

[(2E)-2-[1-[3-(2-acetylcyclopentyl)propyl]-3,3-dimethylindol-2-ylidene]ethylidene]-dimethylazanium (PubChem CID 59004884) has the molecular formula C24H35N2O+ and a molecular weight of 367.56 g/mol. Its IUPAC name is [(2E)-2-[1-[3-(2-acetylcyclopentyl)propyl]-3,3-dimethylindol-2-ylidene]ethylidene]-dimethylazanium.

Molecular Properties

Compound Name[(2E)-2-[1-[3-(2-acetylcyclopentyl)propyl]-3,3-dimethylindol-2-ylidene]ethylidene]-dimethylazanium
PubChem CID59004884
Molecular FormulaC24H35N2O+
Molecular Weight367.56 g/mol
Exact Mass367.27
IUPAC Name[(2E)-2-[1-[3-(2-acetylcyclopentyl)propyl]-3,3-dimethylindol-2-ylidene]ethylidene]-dimethylazanium
SMILESCC(=O)C1CCCC1CCCN1/C(=C/C=[N+](C)C)C(C)(C)c2ccccc21
InChIInChI=1S/C24H35N2O/c1-18(27)20-12-8-10-19(20)11-9-16-26-22-14-7-6-13-21(22)24(2,3)23(26)15-17-25(4)5/h6-7,13-15,17,19-20H,8-12,16H2,1-5H3/q+1
InChIKeyPVMJOBKOZVEDCH-UHFFFAOYSA-N
XLogP4.80
TPSA23.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[(2E)-2-(1-cyclopentyl-3,3-dimethylindol-2-ylidene)ethylidene]-dimethylazanium
CID 59004899
dimethyl-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium
CID 18526952
2,4-bis[(E)-(3,3-dimethyl-1-octadecylindol-2-ylidene)methyl]cyclobutane-1,3-dione
CID 177396907
N-hydroxy-4-[2-[1-[4-[2-[2-[4-[hydroxy(oxido)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexa-2,5-dien-1-imine oxide
CID 89370546
dimethyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium perchlorate
CID 73448945
2-[3-[1-(3-cyclopentylpropyl)-3,3-dimethylindol-2-ylidene]prop-1-enyl]-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium
CID 76689803
8-[2-(1-butyl-3,3-dimethylindol-2-ylidene)ethylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione
CID 123956019
2-[(E)-[1-(3-cyclopentylpropyl)-3,3-dimethylindol-2-ylidene]methyl]-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium
CID 58058253
2,5-bis[4-(3,3-dimethyl-1-pentylindol-2-ylidene)but-2-enylidene]cyclopentan-1-one
CID 58700813
[(2E)-2-[(2E)-2-[3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene]-6-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene]cyclohexylidene]-(2-hydroxyethyl)-methylazanium
CID 159451154
carbanide;cyclopentane;2-[3-[1-(4-cyclopentylbutyl)-3,3-dimethylindol-2-ylidene]prop-1-enyl]-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium;iron(2+)
CID 162292008
N-cyclohexyl-2-(1,3,3-trimethylindol-2-ylidene)acetamide
CID 4656730

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-[1-[3-(2-acetylcyclopentyl)propyl]-3,3-dimethylindol-2-ylidene]ethylidene]-dimethylazanium?
The IUPAC name of [(2E)-2-[1-[3-(2-acetylcyclopentyl)propyl]-3,3-dimethylindol-2-ylidene]ethylidene]-dimethylazanium (CID 59004884) is [(2E)-2-[1-[3-(2-acetylcyclopentyl)propyl]-3,3-dimethylindol-2-ylidene]ethylidene]-dimethylazanium.
What is the SMILES notation for [(2E)-2-[1-[3-(2-acetylcyclopentyl)propyl]-3,3-dimethylindol-2-ylidene]ethylidene]-dimethylazanium?
The canonical SMILES for [(2E)-2-[1-[3-(2-acetylcyclopentyl)propyl]-3,3-dimethylindol-2-ylidene]ethylidene]-dimethylazanium is CC(=O)C1CCCC1CCCN1/C(=C/C=[N+](C)C)C(C)(C)c2ccccc21.
What is the InChIKey of [(2E)-2-[1-[3-(2-acetylcyclopentyl)propyl]-3,3-dimethylindol-2-ylidene]ethylidene]-dimethylazanium?
The InChIKey is PVMJOBKOZVEDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N2O/c1-18(27)20-12-8-10-19(20)11-9-16-26-22-14-7-6-13-21(22)24(2,3)23(26)15-17-25(4)5/h6-7,13-15,17,19-20H,8-12,16H2,1-5H3/q+1.
What are the key properties of [(2E)-2-[1-[3-(2-acetylcyclopentyl)propyl]-3,3-dimethylindol-2-ylidene]ethylidene]-dimethylazanium?
[(2E)-2-[1-[3-(2-acetylcyclopentyl)propyl]-3,3-dimethylindol-2-ylidene]ethylidene]-dimethylazanium has a molecular weight of 367.56 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-[1-[3-(2-acetylcyclopentyl)propyl]-3,3-dimethylindol-2-ylidene]ethylidene]-dimethylazanium is sourced from PubChem (CID 59004884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).