1-benzoyl-6-methoxy-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one

C19H17NO3 — CID 15712466

IUPAC1-benzoyl-6-methoxy-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one
SMILESCOc1ccc2c3c1C(=O)CCC3CN2C(=O)c1ccccc1
InChIInChI=1S/C19H17NO3/c1-23-16-10-8-14-17-13(7-9-15(21)18(16)17)11-20(14)19(22)12-5-3-2-4-6-12/h2-6,8,10,13H,7,9,11H2,1H3
InChIKeyMNBKUBXIGDVQCO-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.42
Rot. Bonds2

About 1-benzoyl-6-methoxy-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one

1-benzoyl-6-methoxy-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one (PubChem CID 15712466) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-benzoyl-6-methoxy-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one.

Molecular Properties

Compound Name1-benzoyl-6-methoxy-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one
PubChem CID15712466
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name1-benzoyl-6-methoxy-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one
SMILESCOc1ccc2c3c1C(=O)CCC3CN2C(=O)c1ccccc1
InChIInChI=1S/C19H17NO3/c1-23-16-10-8-14-17-13(7-9-15(21)18(16)17)11-20(14)19(22)12-5-3-2-4-6-12/h2-6,8,10,13H,7,9,11H2,1H3
InChIKeyMNBKUBXIGDVQCO-UHFFFAOYSA-N
XLogP3.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-6-methoxy-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one?
The IUPAC name of 1-benzoyl-6-methoxy-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one (CID 15712466) is 1-benzoyl-6-methoxy-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one.
What is the SMILES notation for 1-benzoyl-6-methoxy-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one?
The canonical SMILES for 1-benzoyl-6-methoxy-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one is COc1ccc2c3c1C(=O)CCC3CN2C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-6-methoxy-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one?
The InChIKey is MNBKUBXIGDVQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-23-16-10-8-14-17-13(7-9-15(21)18(16)17)11-20(14)19(22)12-5-3-2-4-6-12/h2-6,8,10,13H,7,9,11H2,1H3.
What are the key properties of 1-benzoyl-6-methoxy-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one?
1-benzoyl-6-methoxy-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one has a molecular weight of 307.35 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-6-methoxy-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one is sourced from PubChem (CID 15712466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).