6-methyl-3-nitroindeno[1,2-c]isoquinoline-5,11-dione

C17H10N2O4 — CID 45027904

IUPAC6-methyl-3-nitroindeno[1,2-c]isoquinoline-5,11-dione
SMILESCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C17H10N2O4/c1-18-15-11-4-2-3-5-12(11)16(20)14(15)10-7-6-9(19(22)23)8-13(10)17(18)21/h2-8H,1H3
InChIKeyLWVGQCPNKFYRIV-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.66
Rot. Bonds1

About 6-methyl-3-nitroindeno[1,2-c]isoquinoline-5,11-dione

6-methyl-3-nitroindeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 45027904) has the molecular formula C17H10N2O4 and a molecular weight of 306.28 g/mol. Its IUPAC name is 6-methyl-3-nitroindeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-methyl-3-nitroindeno[1,2-c]isoquinoline-5,11-dione
PubChem CID45027904
Molecular FormulaC17H10N2O4
Molecular Weight306.28 g/mol
Exact Mass306.06
IUPAC Name6-methyl-3-nitroindeno[1,2-c]isoquinoline-5,11-dione
SMILESCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C17H10N2O4/c1-18-15-11-4-2-3-5-12(11)16(20)14(15)10-7-6-9(19(22)23)8-13(10)17(18)21/h2-8H,1H3
InChIKeyLWVGQCPNKFYRIV-UHFFFAOYSA-N
XLogP2.66
TPSA82.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-nitroindeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-methyl-3-nitroindeno[1,2-c]isoquinoline-5,11-dione (CID 45027904) is 6-methyl-3-nitroindeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-methyl-3-nitroindeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-methyl-3-nitroindeno[1,2-c]isoquinoline-5,11-dione is Cn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccccc1-2.
What is the InChIKey of 6-methyl-3-nitroindeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is LWVGQCPNKFYRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O4/c1-18-15-11-4-2-3-5-12(11)16(20)14(15)10-7-6-9(19(22)23)8-13(10)17(18)21/h2-8H,1H3.
What are the key properties of 6-methyl-3-nitroindeno[1,2-c]isoquinoline-5,11-dione?
6-methyl-3-nitroindeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 306.28 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-nitroindeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 45027904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).