6-nitro-1-phenylbenzo[cd]indol-2-one

C17H10N2O3 — CID 2841208

IUPAC6-nitro-1-phenylbenzo[cd]indol-2-one
SMILESO=C1c2cccc3c([N+](=O)[O-])ccc(c23)N1c1ccccc1
InChIInChI=1S/C17H10N2O3/c20-17-13-8-4-7-12-14(19(21)22)9-10-15(16(12)13)18(17)11-5-2-1-3-6-11/h1-10H
InChIKeyJNEMVWCJPKWEFZ-UHFFFAOYSA-N
MW290.28 g/mol
LogP4.04
Rot. Bonds2

About 6-nitro-1-phenylbenzo[cd]indol-2-one

6-nitro-1-phenylbenzo[cd]indol-2-one (PubChem CID 2841208) has the molecular formula C17H10N2O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 6-nitro-1-phenylbenzo[cd]indol-2-one.

Molecular Properties

Compound Name6-nitro-1-phenylbenzo[cd]indol-2-one
PubChem CID2841208
Molecular FormulaC17H10N2O3
Molecular Weight290.28 g/mol
Exact Mass290.07
IUPAC Name6-nitro-1-phenylbenzo[cd]indol-2-one
SMILESO=C1c2cccc3c([N+](=O)[O-])ccc(c23)N1c1ccccc1
InChIInChI=1S/C17H10N2O3/c20-17-13-8-4-7-12-14(19(21)22)9-10-15(16(12)13)18(17)11-5-2-1-3-6-11/h1-10H
InChIKeyJNEMVWCJPKWEFZ-UHFFFAOYSA-N
XLogP4.04
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-nitro-1-phenylbenzo[cd]indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-aminophenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione
CID 2396436
2-(2-hydroxyphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione
CID 898212
2-(4-acetylphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione
CID 1078660
2-hydroxy-6-nitrobenzo[de]isoquinoline-1,3-dione
CID 819865
2-(3,4-dichlorophenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione
CID 86279524
2-methoxy-6-nitrobenzo[de]isoquinoline-1,3-dione
CID 59172799
1-methyl-6-nitrobenzo[cd]indole-2-thione
CID 139774611
2-[3-(3,4-dimethylphenoxy)phenyl]-6-nitrobenzo[de]isoquinoline-1,3-dione
CID 17297086
2-[[3-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoyl]amino]benzoic acid
CID 3304388
3-nitrobenzo[b]phenalen-7-one
CID 2825690
2-(5-methyl-1,3,4-thiadiazol-2-yl)-6-nitrobenzo[de]isoquinoline-1,3-dione
CID 548037
5-nitro-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 871569

Frequently Asked Questions

What is the IUPAC name of 6-nitro-1-phenylbenzo[cd]indol-2-one?
The IUPAC name of 6-nitro-1-phenylbenzo[cd]indol-2-one (CID 2841208) is 6-nitro-1-phenylbenzo[cd]indol-2-one.
What is the SMILES notation for 6-nitro-1-phenylbenzo[cd]indol-2-one?
The canonical SMILES for 6-nitro-1-phenylbenzo[cd]indol-2-one is O=C1c2cccc3c([N+](=O)[O-])ccc(c23)N1c1ccccc1.
What is the InChIKey of 6-nitro-1-phenylbenzo[cd]indol-2-one?
The InChIKey is JNEMVWCJPKWEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O3/c20-17-13-8-4-7-12-14(19(21)22)9-10-15(16(12)13)18(17)11-5-2-1-3-6-11/h1-10H.
What are the key properties of 6-nitro-1-phenylbenzo[cd]indol-2-one?
6-nitro-1-phenylbenzo[cd]indol-2-one has a molecular weight of 290.28 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-1-phenylbenzo[cd]indol-2-one is sourced from PubChem (CID 2841208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).