6-amino-1-ethylbenzo[cd]indol-2-one

C13H12N2O — CID 771515

IUPAC6-amino-1-ethylbenzo[cd]indol-2-one
SMILESCCN1C(=O)c2cccc3c(N)ccc1c23
InChIInChI=1S/C13H12N2O/c1-2-15-11-7-6-10(14)8-4-3-5-9(12(8)11)13(15)16/h3-7H,2,14H2,1H3
InChIKeyLZXPPDSORWBMRR-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.40
Rot. Bonds1

About 6-amino-1-ethylbenzo[cd]indol-2-one

6-amino-1-ethylbenzo[cd]indol-2-one (PubChem CID 771515) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 6-amino-1-ethylbenzo[cd]indol-2-one.

Molecular Properties

Compound Name6-amino-1-ethylbenzo[cd]indol-2-one
PubChem CID771515
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name6-amino-1-ethylbenzo[cd]indol-2-one
SMILESCCN1C(=O)c2cccc3c(N)ccc1c23
InChIInChI=1S/C13H12N2O/c1-2-15-11-7-6-10(14)8-4-3-5-9(12(8)11)13(15)16/h3-7H,2,14H2,1H3
InChIKeyLZXPPDSORWBMRR-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethylbenzo[cd]indol-2-one?
The IUPAC name of 6-amino-1-ethylbenzo[cd]indol-2-one (CID 771515) is 6-amino-1-ethylbenzo[cd]indol-2-one.
What is the SMILES notation for 6-amino-1-ethylbenzo[cd]indol-2-one?
The canonical SMILES for 6-amino-1-ethylbenzo[cd]indol-2-one is CCN1C(=O)c2cccc3c(N)ccc1c23.
What is the InChIKey of 6-amino-1-ethylbenzo[cd]indol-2-one?
The InChIKey is LZXPPDSORWBMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-2-15-11-7-6-10(14)8-4-3-5-9(12(8)11)13(15)16/h3-7H,2,14H2,1H3.
What are the key properties of 6-amino-1-ethylbenzo[cd]indol-2-one?
6-amino-1-ethylbenzo[cd]indol-2-one has a molecular weight of 212.25 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethylbenzo[cd]indol-2-one is sourced from PubChem (CID 771515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).