benzo[cd]indol-2-amine

C11H8N2 — CID 2301724

IUPACbenzo[cd]indol-2-amine
SMILESNC1=Nc2cccc3cccc1c23
InChIInChI=1S/C11H8N2/c12-11-8-5-1-3-7-4-2-6-9(13-11)10(7)8/h1-6H,(H2,12,13)
InChIKeySAFJOJPQROXNBY-UHFFFAOYSA-N
MW168.20 g/mol
LogP2.19
Rot. Bonds

About benzo[cd]indol-2-amine

benzo[cd]indol-2-amine (PubChem CID 2301724) has the molecular formula C11H8N2 and a molecular weight of 168.20 g/mol. Its IUPAC name is benzo[cd]indol-2-amine.

Molecular Properties

Compound Namebenzo[cd]indol-2-amine
PubChem CID2301724
Molecular FormulaC11H8N2
Molecular Weight168.20 g/mol
Exact Mass168.07
IUPAC Namebenzo[cd]indol-2-amine
SMILESNC1=Nc2cccc3cccc1c23
InChIInChI=1S/C11H8N2/c12-11-8-5-1-3-7-4-2-6-9(13-11)10(7)8/h1-6H,(H2,12,13)
InChIKeySAFJOJPQROXNBY-UHFFFAOYSA-N
XLogP2.19
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzo[cd]indol-2-amine?
The IUPAC name of benzo[cd]indol-2-amine (CID 2301724) is benzo[cd]indol-2-amine.
What is the SMILES notation for benzo[cd]indol-2-amine?
The canonical SMILES for benzo[cd]indol-2-amine is NC1=Nc2cccc3cccc1c23.
What is the InChIKey of benzo[cd]indol-2-amine?
The InChIKey is SAFJOJPQROXNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2/c12-11-8-5-1-3-7-4-2-6-9(13-11)10(7)8/h1-6H,(H2,12,13).
What are the key properties of benzo[cd]indol-2-amine?
benzo[cd]indol-2-amine has a molecular weight of 168.20 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[cd]indol-2-amine is sourced from PubChem (CID 2301724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).