1-butan-2-yl-8a-hydroxy-7,8-dihydrobenzo[cd]indole-2,6-dione

C15H17NO3 — CID 155006055

IUPAC1-butan-2-yl-8a-hydroxy-7,8-dihydrobenzo[cd]indole-2,6-dione
SMILESCCC(C)N1C(=O)c2cccc3c2C1(O)CCC3=O
InChIInChI=1S/C15H17NO3/c1-3-9(2)16-14(18)11-6-4-5-10-12(17)7-8-15(16,19)13(10)11/h4-6,9,19H,3,7-8H2,1-2H3
InChIKeyBOSVBOICGKGLQQ-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.06
Rot. Bonds2

About 1-butan-2-yl-8a-hydroxy-7,8-dihydrobenzo[cd]indole-2,6-dione

1-butan-2-yl-8a-hydroxy-7,8-dihydrobenzo[cd]indole-2,6-dione (PubChem CID 155006055) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-butan-2-yl-8a-hydroxy-7,8-dihydrobenzo[cd]indole-2,6-dione.

Molecular Properties

Compound Name1-butan-2-yl-8a-hydroxy-7,8-dihydrobenzo[cd]indole-2,6-dione
PubChem CID155006055
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name1-butan-2-yl-8a-hydroxy-7,8-dihydrobenzo[cd]indole-2,6-dione
SMILESCCC(C)N1C(=O)c2cccc3c2C1(O)CCC3=O
InChIInChI=1S/C15H17NO3/c1-3-9(2)16-14(18)11-6-4-5-10-12(17)7-8-15(16,19)13(10)11/h4-6,9,19H,3,7-8H2,1-2H3
InChIKeyBOSVBOICGKGLQQ-UHFFFAOYSA-N
XLogP2.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-8a-hydroxy-7,8-dihydrobenzo[cd]indole-2,6-dione?
The IUPAC name of 1-butan-2-yl-8a-hydroxy-7,8-dihydrobenzo[cd]indole-2,6-dione (CID 155006055) is 1-butan-2-yl-8a-hydroxy-7,8-dihydrobenzo[cd]indole-2,6-dione.
What is the SMILES notation for 1-butan-2-yl-8a-hydroxy-7,8-dihydrobenzo[cd]indole-2,6-dione?
The canonical SMILES for 1-butan-2-yl-8a-hydroxy-7,8-dihydrobenzo[cd]indole-2,6-dione is CCC(C)N1C(=O)c2cccc3c2C1(O)CCC3=O.
What is the InChIKey of 1-butan-2-yl-8a-hydroxy-7,8-dihydrobenzo[cd]indole-2,6-dione?
The InChIKey is BOSVBOICGKGLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-9(2)16-14(18)11-6-4-5-10-12(17)7-8-15(16,19)13(10)11/h4-6,9,19H,3,7-8H2,1-2H3.
What are the key properties of 1-butan-2-yl-8a-hydroxy-7,8-dihydrobenzo[cd]indole-2,6-dione?
1-butan-2-yl-8a-hydroxy-7,8-dihydrobenzo[cd]indole-2,6-dione has a molecular weight of 259.30 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-8a-hydroxy-7,8-dihydrobenzo[cd]indole-2,6-dione is sourced from PubChem (CID 155006055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).