2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)isoindole-1,3-dione

C21H18N2O2 — CID 713486

IUPAC2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C21H18N2O2/c24-20-15-6-1-2-7-16(15)21(25)23(20)12-13-9-10-19-17(11-13)14-5-3-4-8-18(14)22-19/h1-2,6-7,9-11,22H,3-5,8,12H2
InChIKeyPCBFCGKPOYZRHU-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.84
Rot. Bonds2

About 2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)isoindole-1,3-dione

2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)isoindole-1,3-dione (PubChem CID 713486) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)isoindole-1,3-dione
PubChem CID713486
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C21H18N2O2/c24-20-15-6-1-2-7-16(15)21(25)23(20)12-13-9-10-19-17(11-13)14-5-3-4-8-18(14)22-19/h1-2,6-7,9-11,22H,3-5,8,12H2
InChIKeyPCBFCGKPOYZRHU-UHFFFAOYSA-N
XLogP3.84
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.84
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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Frequently Asked Questions

What is the IUPAC name of 2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)isoindole-1,3-dione (CID 713486) is 2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of 2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)isoindole-1,3-dione?
The InChIKey is PCBFCGKPOYZRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c24-20-15-6-1-2-7-16(15)21(25)23(20)12-13-9-10-19-17(11-13)14-5-3-4-8-18(14)22-19/h1-2,6-7,9-11,22H,3-5,8,12H2.
What are the key properties of 2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)isoindole-1,3-dione?
2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)isoindole-1,3-dione has a molecular weight of 330.39 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 713486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).