formonitrile;1-nitronaphthalene

C11H8N2O2 — CID 174387830

IUPACformonitrile;1-nitronaphthalene
SMILESC#N.O=[N+]([O-])c1cccc2ccccc12
InChIInChI=1S/C10H7NO2.CHN/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;1-2/h1-7H;1H
InChIKeyDIBVMHDQTJYKSY-UHFFFAOYSA-N
MW200.20 g/mol
LogP2.89
Rot. Bonds1

About formonitrile;1-nitronaphthalene

formonitrile;1-nitronaphthalene (PubChem CID 174387830) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is formonitrile;1-nitronaphthalene.

Molecular Properties

Compound Nameformonitrile;1-nitronaphthalene
PubChem CID174387830
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Nameformonitrile;1-nitronaphthalene
SMILESC#N.O=[N+]([O-])c1cccc2ccccc12
InChIInChI=1S/C10H7NO2.CHN/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;1-2/h1-7H;1H
InChIKeyDIBVMHDQTJYKSY-UHFFFAOYSA-N
XLogP2.89
TPSA66.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 52.89
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'}

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Related Compounds

1-nitronaphthalene;hydrate
CID 174470741
azanylidyneazanium;1-nitronaphthalene;chloride
CID 23454944
1,1'-biphenyl;1-nitronaphthalene
CID 174805071
4-nitrophenanthrene
CID 139058403
naphthalen-1-yl-(2-nitrophenyl)methanone
CID 22366378
8-nitronaphthalene-2-carbonitrile
CID 12060830
8-nitroisoquinolin-2-ium
CID 21436749
1-methoxy-2-nitronaphthalene
CID 10899709
1,5,9-trinitrotriphenylene
CID 86227277
4-(2-nitrophenyl)benzo[c]phenanthrene
CID 154597914
(2-azidophenyl)-phenyldiazene;1-nitronaphthalene
CID 159930527
1-ethoxy-2-nitronaphthalene
CID 15811705

Frequently Asked Questions

What is the IUPAC name of formonitrile;1-nitronaphthalene?
The IUPAC name of formonitrile;1-nitronaphthalene (CID 174387830) is formonitrile;1-nitronaphthalene.
What is the SMILES notation for formonitrile;1-nitronaphthalene?
The canonical SMILES for formonitrile;1-nitronaphthalene is C#N.O=[N+]([O-])c1cccc2ccccc12.
What is the InChIKey of formonitrile;1-nitronaphthalene?
The InChIKey is DIBVMHDQTJYKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2.CHN/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;1-2/h1-7H;1H.
What are the key properties of formonitrile;1-nitronaphthalene?
formonitrile;1-nitronaphthalene has a molecular weight of 200.20 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile;1-nitronaphthalene is sourced from PubChem (CID 174387830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).