1-acetyl-2-phenyl-2,2a,3,5-tetrahydrobenzo[cd]indol-4-one

C19H17NO2 — CID 19348129

IUPAC1-acetyl-2-phenyl-2,2a,3,5-tetrahydrobenzo[cd]indol-4-one
SMILESCC(=O)N1c2cccc3c2C(CC(=O)C3)C1c1ccccc1
InChIInChI=1S/C19H17NO2/c1-12(21)20-17-9-5-8-14-10-15(22)11-16(18(14)17)19(20)13-6-3-2-4-7-13/h2-9,16,19H,10-11H2,1H3
InChIKeyIQXLXDYQWULVRJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.39
Rot. Bonds1

About 1-acetyl-2-phenyl-2,2a,3,5-tetrahydrobenzo[cd]indol-4-one

1-acetyl-2-phenyl-2,2a,3,5-tetrahydrobenzo[cd]indol-4-one (PubChem CID 19348129) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-acetyl-2-phenyl-2,2a,3,5-tetrahydrobenzo[cd]indol-4-one.

Molecular Properties

Compound Name1-acetyl-2-phenyl-2,2a,3,5-tetrahydrobenzo[cd]indol-4-one
PubChem CID19348129
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name1-acetyl-2-phenyl-2,2a,3,5-tetrahydrobenzo[cd]indol-4-one
SMILESCC(=O)N1c2cccc3c2C(CC(=O)C3)C1c1ccccc1
InChIInChI=1S/C19H17NO2/c1-12(21)20-17-9-5-8-14-10-15(22)11-16(18(14)17)19(20)13-6-3-2-4-7-13/h2-9,16,19H,10-11H2,1H3
InChIKeyIQXLXDYQWULVRJ-UHFFFAOYSA-N
XLogP3.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-phenyl-2,2a,3,5-tetrahydrobenzo[cd]indol-4-one?
The IUPAC name of 1-acetyl-2-phenyl-2,2a,3,5-tetrahydrobenzo[cd]indol-4-one (CID 19348129) is 1-acetyl-2-phenyl-2,2a,3,5-tetrahydrobenzo[cd]indol-4-one.
What is the SMILES notation for 1-acetyl-2-phenyl-2,2a,3,5-tetrahydrobenzo[cd]indol-4-one?
The canonical SMILES for 1-acetyl-2-phenyl-2,2a,3,5-tetrahydrobenzo[cd]indol-4-one is CC(=O)N1c2cccc3c2C(CC(=O)C3)C1c1ccccc1.
What is the InChIKey of 1-acetyl-2-phenyl-2,2a,3,5-tetrahydrobenzo[cd]indol-4-one?
The InChIKey is IQXLXDYQWULVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-12(21)20-17-9-5-8-14-10-15(22)11-16(18(14)17)19(20)13-6-3-2-4-7-13/h2-9,16,19H,10-11H2,1H3.
What are the key properties of 1-acetyl-2-phenyl-2,2a,3,5-tetrahydrobenzo[cd]indol-4-one?
1-acetyl-2-phenyl-2,2a,3,5-tetrahydrobenzo[cd]indol-4-one has a molecular weight of 291.35 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-phenyl-2,2a,3,5-tetrahydrobenzo[cd]indol-4-one is sourced from PubChem (CID 19348129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).