4-methyl-7-nitro-1,3-dihydrobenzo[f]indol-2-one

C13H10N2O3 — CID 72945847

IUPAC4-methyl-7-nitro-1,3-dihydrobenzo[f]indol-2-one
SMILESCc1c2c(cc3cc([N+](=O)[O-])ccc13)NC(=O)C2
InChIInChI=1S/C13H10N2O3/c1-7-10-3-2-9(15(17)18)4-8(10)5-12-11(7)6-13(16)14-12/h2-5H,6H2,1H3,(H,14,16)
InChIKeyQWUSBLXLUIVVCP-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.55
Rot. Bonds1

About 4-methyl-7-nitro-1,3-dihydrobenzo[f]indol-2-one

4-methyl-7-nitro-1,3-dihydrobenzo[f]indol-2-one (PubChem CID 72945847) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 4-methyl-7-nitro-1,3-dihydrobenzo[f]indol-2-one.

Molecular Properties

Compound Name4-methyl-7-nitro-1,3-dihydrobenzo[f]indol-2-one
PubChem CID72945847
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name4-methyl-7-nitro-1,3-dihydrobenzo[f]indol-2-one
SMILESCc1c2c(cc3cc([N+](=O)[O-])ccc13)NC(=O)C2
InChIInChI=1S/C13H10N2O3/c1-7-10-3-2-9(15(17)18)4-8(10)5-12-11(7)6-13(16)14-12/h2-5H,6H2,1H3,(H,14,16)
InChIKeyQWUSBLXLUIVVCP-UHFFFAOYSA-N
XLogP2.55
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-nitro-1,3-dihydrobenzo[f]indol-2-one?
The IUPAC name of 4-methyl-7-nitro-1,3-dihydrobenzo[f]indol-2-one (CID 72945847) is 4-methyl-7-nitro-1,3-dihydrobenzo[f]indol-2-one.
What is the SMILES notation for 4-methyl-7-nitro-1,3-dihydrobenzo[f]indol-2-one?
The canonical SMILES for 4-methyl-7-nitro-1,3-dihydrobenzo[f]indol-2-one is Cc1c2c(cc3cc([N+](=O)[O-])ccc13)NC(=O)C2.
What is the InChIKey of 4-methyl-7-nitro-1,3-dihydrobenzo[f]indol-2-one?
The InChIKey is QWUSBLXLUIVVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-7-10-3-2-9(15(17)18)4-8(10)5-12-11(7)6-13(16)14-12/h2-5H,6H2,1H3,(H,14,16).
What are the key properties of 4-methyl-7-nitro-1,3-dihydrobenzo[f]indol-2-one?
4-methyl-7-nitro-1,3-dihydrobenzo[f]indol-2-one has a molecular weight of 242.23 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-nitro-1,3-dihydrobenzo[f]indol-2-one is sourced from PubChem (CID 72945847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).