1-butan-2-ylbenzo[cd]indol-2-one

C15H15NO — CID 155006053

IUPAC1-butan-2-ylbenzo[cd]indol-2-one
SMILESCCC(C)N1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C15H15NO/c1-3-10(2)16-13-9-5-7-11-6-4-8-12(14(11)13)15(16)17/h4-10H,3H2,1-2H3
InChIKeyOXQNJIWQBYURFU-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.60
Rot. Bonds2

About 1-butan-2-ylbenzo[cd]indol-2-one

1-butan-2-ylbenzo[cd]indol-2-one (PubChem CID 155006053) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-butan-2-ylbenzo[cd]indol-2-one.

Molecular Properties

Compound Name1-butan-2-ylbenzo[cd]indol-2-one
PubChem CID155006053
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name1-butan-2-ylbenzo[cd]indol-2-one
SMILESCCC(C)N1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C15H15NO/c1-3-10(2)16-13-9-5-7-11-6-4-8-12(14(11)13)15(16)17/h4-10H,3H2,1-2H3
InChIKeyOXQNJIWQBYURFU-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylbenzo[cd]indol-2-one?
The IUPAC name of 1-butan-2-ylbenzo[cd]indol-2-one (CID 155006053) is 1-butan-2-ylbenzo[cd]indol-2-one.
What is the SMILES notation for 1-butan-2-ylbenzo[cd]indol-2-one?
The canonical SMILES for 1-butan-2-ylbenzo[cd]indol-2-one is CCC(C)N1C(=O)c2cccc3cccc1c23.
What is the InChIKey of 1-butan-2-ylbenzo[cd]indol-2-one?
The InChIKey is OXQNJIWQBYURFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-3-10(2)16-13-9-5-7-11-6-4-8-12(14(11)13)15(16)17/h4-10H,3H2,1-2H3.
What are the key properties of 1-butan-2-ylbenzo[cd]indol-2-one?
1-butan-2-ylbenzo[cd]indol-2-one has a molecular weight of 225.29 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylbenzo[cd]indol-2-one is sourced from PubChem (CID 155006053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).