[(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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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).