3-benzyl-1-[(dimethylamino)methyl]-2-methylindeno[2,1-b]pyrrol-4-one;hydrochloride

C22H23ClN2O — CID 2848137

IUPAC3-benzyl-1-[(dimethylamino)methyl]-2-methylindeno[2,1-b]pyrrol-4-one;hydrochloride
SMILESCc1c(CN(C)C)c2c(n1Cc1ccccc1)C(=O)c1ccccc1-2.Cl
InChIInChI=1S/C22H22N2O.ClH/c1-15-19(14-23(2)3)20-17-11-7-8-12-18(17)22(25)21(20)24(15)13-16-9-5-4-6-10-16;/h4-12H,13-14H2,1-3H3;1H
InChIKeyWBFJIRSNRMTYJR-UHFFFAOYSA-N
MW366.89 g/mol
LogP4.54
Rot. Bonds4

About 3-benzyl-1-[(dimethylamino)methyl]-2-methylindeno[2,1-b]pyrrol-4-one;hydrochloride

3-benzyl-1-[(dimethylamino)methyl]-2-methylindeno[2,1-b]pyrrol-4-one;hydrochloride (PubChem CID 2848137) has the molecular formula C22H23ClN2O and a molecular weight of 366.89 g/mol. Its IUPAC name is 3-benzyl-1-[(dimethylamino)methyl]-2-methylindeno[2,1-b]pyrrol-4-one;hydrochloride.

Molecular Properties

Compound Name3-benzyl-1-[(dimethylamino)methyl]-2-methylindeno[2,1-b]pyrrol-4-one;hydrochloride
PubChem CID2848137
Molecular FormulaC22H23ClN2O
Molecular Weight366.89 g/mol
Exact Mass366.15
IUPAC Name3-benzyl-1-[(dimethylamino)methyl]-2-methylindeno[2,1-b]pyrrol-4-one;hydrochloride
SMILESCc1c(CN(C)C)c2c(n1Cc1ccccc1)C(=O)c1ccccc1-2.Cl
InChIInChI=1S/C22H22N2O.ClH/c1-15-19(14-23(2)3)20-17-11-7-8-12-18(17)22(25)21(20)24(15)13-16-9-5-4-6-10-16;/h4-12H,13-14H2,1-3H3;1H
InChIKeyWBFJIRSNRMTYJR-UHFFFAOYSA-N
XLogP4.54
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_I(2)', 'substructure': 'N/A'}

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Related Compounds

5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 24764502
5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 24826109
7-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 66637000
Indeno(2,1-b)pyrrol-8(1H)-one, 5-bromo-3-((dimethylamino)methyl)-2-methyl-1-(phenylmethyl)-
CID 216355
(2E)-2-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]indan-1-one
CID 12005106
5(3-Phenylpropyl)-5,7,8-tetrahydroindeno[1,2-b]indol-9,10-dione
CID 24204512
5-benzyl-7-phenyl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 406584
7-methyl-5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 66636984
5-(1-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 24826110
Indeno(2,1-b)pyrrol-8(1H)-one, 5-bromo-1,2-dimethyl-3-((dimethylamino)methyl)-
CID 216357
1-Benzyl-5-bromo-3-dimethylaminomethyl-2-methyl-1H-indeno[2,1-b]pyrrol-8-one
CID 9551808
5-Propan-2-yl-7,8-dihydroindeno[1,2-b]indole-6,9,10-trione
CID 73353970

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[(dimethylamino)methyl]-2-methylindeno[2,1-b]pyrrol-4-one;hydrochloride?
The IUPAC name of 3-benzyl-1-[(dimethylamino)methyl]-2-methylindeno[2,1-b]pyrrol-4-one;hydrochloride (CID 2848137) is 3-benzyl-1-[(dimethylamino)methyl]-2-methylindeno[2,1-b]pyrrol-4-one;hydrochloride.
What is the SMILES notation for 3-benzyl-1-[(dimethylamino)methyl]-2-methylindeno[2,1-b]pyrrol-4-one;hydrochloride?
The canonical SMILES for 3-benzyl-1-[(dimethylamino)methyl]-2-methylindeno[2,1-b]pyrrol-4-one;hydrochloride is Cc1c(CN(C)C)c2c(n1Cc1ccccc1)C(=O)c1ccccc1-2.Cl.
What is the InChIKey of 3-benzyl-1-[(dimethylamino)methyl]-2-methylindeno[2,1-b]pyrrol-4-one;hydrochloride?
The InChIKey is WBFJIRSNRMTYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O.ClH/c1-15-19(14-23(2)3)20-17-11-7-8-12-18(17)22(25)21(20)24(15)13-16-9-5-4-6-10-16;/h4-12H,13-14H2,1-3H3;1H.
What are the key properties of 3-benzyl-1-[(dimethylamino)methyl]-2-methylindeno[2,1-b]pyrrol-4-one;hydrochloride?
3-benzyl-1-[(dimethylamino)methyl]-2-methylindeno[2,1-b]pyrrol-4-one;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[(dimethylamino)methyl]-2-methylindeno[2,1-b]pyrrol-4-one;hydrochloride is sourced from PubChem (CID 2848137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).