2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3H-isoindol-1-one

C19H19NO — CID 11849900

IUPAC2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1C1CCCCc2ccccc21
InChIInChI=1S/C19H19NO/c21-19-17-11-5-2-9-15(17)13-20(19)18-12-6-3-8-14-7-1-4-10-16(14)18/h1-2,4-5,7,9-11,18H,3,6,8,12-13H2
InChIKeyKQECPPWVUQYSQB-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.11
Rot. Bonds1

About 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3H-isoindol-1-one

2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3H-isoindol-1-one (PubChem CID 11849900) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3H-isoindol-1-one
PubChem CID11849900
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1C1CCCCc2ccccc21
InChIInChI=1S/C19H19NO/c21-19-17-11-5-2-9-15(17)13-20(19)18-12-6-3-8-14-7-1-4-10-16(14)18/h1-2,4-5,7,9-11,18H,3,6,8,12-13H2
InChIKeyKQECPPWVUQYSQB-UHFFFAOYSA-N
XLogP4.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3H-isoindol-1-one with MolForge

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Related Compounds

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1-[1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperidin-4-yl]pyrrolidin-2-one
CID 71865883
1-[1-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidin-4-yl]pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3H-isoindol-1-one?
The IUPAC name of 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3H-isoindol-1-one (CID 11849900) is 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3H-isoindol-1-one.
What is the SMILES notation for 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3H-isoindol-1-one?
The canonical SMILES for 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3H-isoindol-1-one is O=C1c2ccccc2CN1C1CCCCc2ccccc21.
What is the InChIKey of 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3H-isoindol-1-one?
The InChIKey is KQECPPWVUQYSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c21-19-17-11-5-2-9-15(17)13-20(19)18-12-6-3-8-14-7-1-4-10-16(14)18/h1-2,4-5,7,9-11,18H,3,6,8,12-13H2.
What are the key properties of 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3H-isoindol-1-one?
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3H-isoindol-1-one has a molecular weight of 277.37 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3H-isoindol-1-one is sourced from PubChem (CID 11849900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).