1-butyl-2H-benzo[cd]indole

C15H17N — CID 154019037

IUPAC1-butyl-2H-benzo[cd]indole
SMILESCCCCN1Cc2cccc3cccc1c23
InChIInChI=1S/C15H17N/c1-2-3-10-16-11-13-8-4-6-12-7-5-9-14(16)15(12)13/h4-9H,2-3,10-11H2,1H3
InChIKeyJNYAEJMJAMWKBX-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.96
Rot. Bonds3

About 1-butyl-2H-benzo[cd]indole

1-butyl-2H-benzo[cd]indole (PubChem CID 154019037) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-butyl-2H-benzo[cd]indole.

Molecular Properties

Compound Name1-butyl-2H-benzo[cd]indole
PubChem CID154019037
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name1-butyl-2H-benzo[cd]indole
SMILESCCCCN1Cc2cccc3cccc1c23
InChIInChI=1S/C15H17N/c1-2-3-10-16-11-13-8-4-6-12-7-5-9-14(16)15(12)13/h4-9H,2-3,10-11H2,1H3
InChIKeyJNYAEJMJAMWKBX-UHFFFAOYSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2H-benzo[cd]indole?
The IUPAC name of 1-butyl-2H-benzo[cd]indole (CID 154019037) is 1-butyl-2H-benzo[cd]indole.
What is the SMILES notation for 1-butyl-2H-benzo[cd]indole?
The canonical SMILES for 1-butyl-2H-benzo[cd]indole is CCCCN1Cc2cccc3cccc1c23.
What is the InChIKey of 1-butyl-2H-benzo[cd]indole?
The InChIKey is JNYAEJMJAMWKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-2-3-10-16-11-13-8-4-6-12-7-5-9-14(16)15(12)13/h4-9H,2-3,10-11H2,1H3.
What are the key properties of 1-butyl-2H-benzo[cd]indole?
1-butyl-2H-benzo[cd]indole has a molecular weight of 211.31 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2H-benzo[cd]indole is sourced from PubChem (CID 154019037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).