(2-nitrocyclohexyl)benzene

C12H15NO2 — CID 562931

IUPAC(2-nitrocyclohexyl)benzene
SMILESO=[N+]([O-])C1CCCCC1c1ccccc1
InChIInChI=1S/C12H15NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2
InChIKeyJPUJWHOKGSAARG-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.99
Rot. Bonds2

About (2-nitrocyclohexyl)benzene

(2-nitrocyclohexyl)benzene (PubChem CID 562931) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (2-nitrocyclohexyl)benzene.

Molecular Properties

Compound Name(2-nitrocyclohexyl)benzene
PubChem CID562931
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(2-nitrocyclohexyl)benzene
SMILESO=[N+]([O-])C1CCCCC1c1ccccc1
InChIInChI=1S/C12H15NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2
InChIKeyJPUJWHOKGSAARG-UHFFFAOYSA-N
XLogP2.99
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.99
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-Nitro-2-phenylethane
CID 80208
2-Nitro-1-phenylpropane
CID 86546
Benzene, dinitroethyl-
CID 213516
1-(2-Nitroethyl)naphthalene
CID 13740762
(2-Nitro-1-phenylethenyl)benzene
CID 344303
Ethane, 1,1-dinitro-2,2-diphenyl-
CID 2296060
1,1'-(2-Nitropropane-1,3-diyl)dibenzene
CID 333870
(2-Nitro-1-phenylpropyl)benzene
CID 3349642
2-Nitro-3-phenylbicyclo(2.2.1)heptane
CID 227371
(1-Nitropropyl)benzene
CID 21349
1-Nitroethylbenzene
CID 23618
(2-Methyl-2-nitropropyl)benzene
CID 3080778

Frequently Asked Questions

What is the IUPAC name of (2-nitrocyclohexyl)benzene?
The IUPAC name of (2-nitrocyclohexyl)benzene (CID 562931) is (2-nitrocyclohexyl)benzene.
What is the SMILES notation for (2-nitrocyclohexyl)benzene?
The canonical SMILES for (2-nitrocyclohexyl)benzene is O=[N+]([O-])C1CCCCC1c1ccccc1.
What is the InChIKey of (2-nitrocyclohexyl)benzene?
The InChIKey is JPUJWHOKGSAARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2.
What are the key properties of (2-nitrocyclohexyl)benzene?
(2-nitrocyclohexyl)benzene has a molecular weight of 205.26 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrocyclohexyl)benzene is sourced from PubChem (CID 562931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).