1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene

C15H13NO2 — CID 15891688

IUPAC1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene
SMILESO=[N+]([O-])c1ccc([C@@H]2C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C15H13NO2/c17-16(18)13-8-6-12(7-9-13)15-10-14(15)11-4-2-1-3-5-11/h1-9,14-15H,10H2/t14-,15-/m0/s1
InChIKeyLYOHDPNWNLNIED-GJZGRUSLSA-N
MW239.27 g/mol
LogP3.87
Rot. Bonds3

About 1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene

1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene (PubChem CID 15891688) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene.

Molecular Properties

Compound Name1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene
PubChem CID15891688
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene
SMILESO=[N+]([O-])c1ccc([C@@H]2C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C15H13NO2/c17-16(18)13-8-6-12(7-9-13)15-10-14(15)11-4-2-1-3-5-11/h1-9,14-15H,10H2/t14-,15-/m0/s1
InChIKeyLYOHDPNWNLNIED-GJZGRUSLSA-N
XLogP3.87
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.87
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

(2R,4S,6S)-2,4-bis(4-nitrophenyl)-6-phenyl-1,3-dioxane
CID 100817075
magnesium;hydride;nitrobenzene
CID 173371093
benzene;iron;nitrobenzene
CID 174446919
azane;nitrobenzene
CID 23197461
arsane;nitrobenzene
CID 174282180
calcium nitrobenzene
CID 67916702
azanium nitrobenzene
CID 22989049
4-nitro-N'-[(1S,2R)-2-phenylcyclopropanecarbonyl]benzohydrazide
CID 6938443
1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine
CID 101127745
2-(4-nitrophenyl)cyclohexan-1-amine
CID 82242146
1-[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]ethanone
CID 24987776
(2R,3R)-1-[(R)-tert-butylsulfinyl]-2-(4-nitrophenyl)-3-phenylaziridine
CID 135059647

Frequently Asked Questions

What is the IUPAC name of 1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene?
The IUPAC name of 1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene (CID 15891688) is 1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene.
What is the SMILES notation for 1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene?
The canonical SMILES for 1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene is O=[N+]([O-])c1ccc([C@@H]2C[C@H]2c2ccccc2)cc1.
What is the InChIKey of 1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene?
The InChIKey is LYOHDPNWNLNIED-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H13NO2/c17-16(18)13-8-6-12(7-9-13)15-10-14(15)11-4-2-1-3-5-11/h1-9,14-15H,10H2/t14-,15-/m0/s1.
What are the key properties of 1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene?
1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene has a molecular weight of 239.27 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene is sourced from PubChem (CID 15891688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).