5-nitro-1,2-dihydroacenaphthylene

C12H9NO2 — CID 11769

IUPAC5-nitro-1,2-dihydroacenaphthylene
SMILESO=[N+]([O-])c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C12H9NO2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2
InChIKeyCUARLQDWYSRQDF-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.85
Rot. Bonds1

About 5-nitro-1,2-dihydroacenaphthylene

5-nitro-1,2-dihydroacenaphthylene (PubChem CID 11769) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-nitro-1,2-dihydroacenaphthylene.

Molecular Properties

Compound Name5-nitro-1,2-dihydroacenaphthylene
PubChem CID11769
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name5-nitro-1,2-dihydroacenaphthylene
SMILESO=[N+]([O-])c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C12H9NO2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2
InChIKeyCUARLQDWYSRQDF-UHFFFAOYSA-N
XLogP2.85
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

1-Nitropyrene
CID 21694
1-Nitronaphthalene
CID 6849
2-Nitrofluorene
CID 11831
3-Nitrofluoranthene
CID 13462
6-Nitrochrysene
CID 24121
1,6-Dinitropyrene
CID 39184
1,8-Dinitropyrene
CID 39185
4-Nitropyrene
CID 62134
3-Nitrobenzo(a)pyrene
CID 50961
1-Nitrobenzo(a)pyrene
CID 50958
2-Nitroso-9H-fluorene
CID 17271
9-Nitroanthracene
CID 11767

Frequently Asked Questions

What is the IUPAC name of 5-nitro-1,2-dihydroacenaphthylene?
The IUPAC name of 5-nitro-1,2-dihydroacenaphthylene (CID 11769) is 5-nitro-1,2-dihydroacenaphthylene.
What is the SMILES notation for 5-nitro-1,2-dihydroacenaphthylene?
The canonical SMILES for 5-nitro-1,2-dihydroacenaphthylene is O=[N+]([O-])c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 5-nitro-1,2-dihydroacenaphthylene?
The InChIKey is CUARLQDWYSRQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2.
What are the key properties of 5-nitro-1,2-dihydroacenaphthylene?
5-nitro-1,2-dihydroacenaphthylene has a molecular weight of 199.21 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1,2-dihydroacenaphthylene is sourced from PubChem (CID 11769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).