1-[(10-ethyl-9H-acridin-10-ium-10-yl)methyl]pyrrolidin-2-one chloride

C20H23ClN2O — CID 67875839

IUPAC1-[(10-ethyl-9H-acridin-10-ium-10-yl)methyl]pyrrolidin-2-one chloride
SMILESCC[N+]1(CN2CCCC2=O)c2ccccc2Cc2ccccc21.[Cl-]
InChIInChI=1S/C20H23N2O.ClH/c1-2-22(15-21-13-7-12-20(21)23)18-10-5-3-8-16(18)14-17-9-4-6-11-19(17)22;/h3-6,8-11H,2,7,12-15H2,1H3;1H/q+1;/p-1
InChIKeyUYECDZPEOZKALG-UHFFFAOYSA-M
MW342.87 g/mol
LogP0.83
Rot. Bonds3

About 1-[(10-ethyl-9H-acridin-10-ium-10-yl)methyl]pyrrolidin-2-one chloride

1-[(10-ethyl-9H-acridin-10-ium-10-yl)methyl]pyrrolidin-2-one chloride (PubChem CID 67875839) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 1-[(10-ethyl-9H-acridin-10-ium-10-yl)methyl]pyrrolidin-2-one chloride.

Molecular Properties

Compound Name1-[(10-ethyl-9H-acridin-10-ium-10-yl)methyl]pyrrolidin-2-one chloride
PubChem CID67875839
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name1-[(10-ethyl-9H-acridin-10-ium-10-yl)methyl]pyrrolidin-2-one chloride
SMILESCC[N+]1(CN2CCCC2=O)c2ccccc2Cc2ccccc21.[Cl-]
InChIInChI=1S/C20H23N2O.ClH/c1-2-22(15-21-13-7-12-20(21)23)18-10-5-3-8-16(18)14-17-9-4-6-11-19(17)22;/h3-6,8-11H,2,7,12-15H2,1H3;1H/q+1;/p-1
InChIKeyUYECDZPEOZKALG-UHFFFAOYSA-M
XLogP0.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(10-ethyl-9H-acridin-10-ium-10-yl)methyl]pyrrolidin-2-one chloride?
The IUPAC name of 1-[(10-ethyl-9H-acridin-10-ium-10-yl)methyl]pyrrolidin-2-one chloride (CID 67875839) is 1-[(10-ethyl-9H-acridin-10-ium-10-yl)methyl]pyrrolidin-2-one chloride.
What is the SMILES notation for 1-[(10-ethyl-9H-acridin-10-ium-10-yl)methyl]pyrrolidin-2-one chloride?
The canonical SMILES for 1-[(10-ethyl-9H-acridin-10-ium-10-yl)methyl]pyrrolidin-2-one chloride is CC[N+]1(CN2CCCC2=O)c2ccccc2Cc2ccccc21.[Cl-].
What is the InChIKey of 1-[(10-ethyl-9H-acridin-10-ium-10-yl)methyl]pyrrolidin-2-one chloride?
The InChIKey is UYECDZPEOZKALG-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H23N2O.ClH/c1-2-22(15-21-13-7-12-20(21)23)18-10-5-3-8-16(18)14-17-9-4-6-11-19(17)22;/h3-6,8-11H,2,7,12-15H2,1H3;1H/q+1;/p-1.
What are the key properties of 1-[(10-ethyl-9H-acridin-10-ium-10-yl)methyl]pyrrolidin-2-one chloride?
1-[(10-ethyl-9H-acridin-10-ium-10-yl)methyl]pyrrolidin-2-one chloride has a molecular weight of 342.87 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(10-ethyl-9H-acridin-10-ium-10-yl)methyl]pyrrolidin-2-one chloride is sourced from PubChem (CID 67875839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).