2-[(3-methyl-1H-indol-2-yl)methyl]isoindole-1,3-dione

C18H14N2O2 — CID 11623432

IUPAC2-[(3-methyl-1H-indol-2-yl)methyl]isoindole-1,3-dione
SMILESCc1c(CN2C(=O)c3ccccc3C2=O)[nH]c2ccccc12
InChIInChI=1S/C18H14N2O2/c1-11-12-6-4-5-9-15(12)19-16(11)10-20-17(21)13-7-2-3-8-14(13)18(20)22/h2-9,19H,10H2,1H3
InChIKeyAFYMGEZNWFZMPW-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.27
Rot. Bonds2

About 2-[(3-methyl-1H-indol-2-yl)methyl]isoindole-1,3-dione

2-[(3-methyl-1H-indol-2-yl)methyl]isoindole-1,3-dione (PubChem CID 11623432) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[(3-methyl-1H-indol-2-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3-methyl-1H-indol-2-yl)methyl]isoindole-1,3-dione
PubChem CID11623432
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name2-[(3-methyl-1H-indol-2-yl)methyl]isoindole-1,3-dione
SMILESCc1c(CN2C(=O)c3ccccc3C2=O)[nH]c2ccccc12
InChIInChI=1S/C18H14N2O2/c1-11-12-6-4-5-9-15(12)19-16(11)10-20-17(21)13-7-2-3-8-14(13)18(20)22/h2-9,19H,10H2,1H3
InChIKeyAFYMGEZNWFZMPW-UHFFFAOYSA-N
XLogP3.27
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione
CID 707361
2-(1H-indol-3-ylmethyl)isoindole-1,3-dione
CID 12504745
N,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine
CID 119082195
2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione
CID 5094148
2-methyl-1-(3-methyl-1H-indol-2-yl)propan-2-ol
CID 141350566
3-methyl-4-[(3-methyl-1H-indol-2-yl)methyl]-1-propylpiperazine-2,5-dione
CID 130265212
3-methyl-1H-indole-2-carbonitrile
CID 593371
2-[(3-chloro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 59323393
2-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-3-methyl-1H-indole
CID 69433637
[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]methanol
CID 95857188
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
2-[(4-methylphenyl)methyl]isoquinoline-1,3,4-trione
CID 177415175

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1H-indol-2-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(3-methyl-1H-indol-2-yl)methyl]isoindole-1,3-dione (CID 11623432) is 2-[(3-methyl-1H-indol-2-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3-methyl-1H-indol-2-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3-methyl-1H-indol-2-yl)methyl]isoindole-1,3-dione is Cc1c(CN2C(=O)c3ccccc3C2=O)[nH]c2ccccc12.
What is the InChIKey of 2-[(3-methyl-1H-indol-2-yl)methyl]isoindole-1,3-dione?
The InChIKey is AFYMGEZNWFZMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-11-12-6-4-5-9-15(12)19-16(11)10-20-17(21)13-7-2-3-8-14(13)18(20)22/h2-9,19H,10H2,1H3.
What are the key properties of 2-[(3-methyl-1H-indol-2-yl)methyl]isoindole-1,3-dione?
2-[(3-methyl-1H-indol-2-yl)methyl]isoindole-1,3-dione has a molecular weight of 290.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1H-indol-2-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 11623432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).