6-(2-nitrophenyl)-3,4-dihydro-2H-pyran

C11H11NO3 — CID 11217973

IUPAC6-(2-nitrophenyl)-3,4-dihydro-2H-pyran
SMILESO=[N+]([O-])c1ccccc1C1=CCCCO1
InChIInChI=1S/C11H11NO3/c13-12(14)10-6-2-1-5-9(10)11-7-3-4-8-15-11/h1-2,5-7H,3-4,8H2
InChIKeyQWUGLRVRXPFTMN-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.75
Rot. Bonds2

About 6-(2-nitrophenyl)-3,4-dihydro-2H-pyran

6-(2-nitrophenyl)-3,4-dihydro-2H-pyran (PubChem CID 11217973) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 6-(2-nitrophenyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-(2-nitrophenyl)-3,4-dihydro-2H-pyran
PubChem CID11217973
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name6-(2-nitrophenyl)-3,4-dihydro-2H-pyran
SMILESO=[N+]([O-])c1ccccc1C1=CCCCO1
InChIInChI=1S/C11H11NO3/c13-12(14)10-6-2-1-5-9(10)11-7-3-4-8-15-11/h1-2,5-7H,3-4,8H2
InChIKeyQWUGLRVRXPFTMN-UHFFFAOYSA-N
XLogP2.75
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.75
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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Frequently Asked Questions

What is the IUPAC name of 6-(2-nitrophenyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 6-(2-nitrophenyl)-3,4-dihydro-2H-pyran (CID 11217973) is 6-(2-nitrophenyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-(2-nitrophenyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-(2-nitrophenyl)-3,4-dihydro-2H-pyran is O=[N+]([O-])c1ccccc1C1=CCCCO1.
What is the InChIKey of 6-(2-nitrophenyl)-3,4-dihydro-2H-pyran?
The InChIKey is QWUGLRVRXPFTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-12(14)10-6-2-1-5-9(10)11-7-3-4-8-15-11/h1-2,5-7H,3-4,8H2.
What are the key properties of 6-(2-nitrophenyl)-3,4-dihydro-2H-pyran?
6-(2-nitrophenyl)-3,4-dihydro-2H-pyran has a molecular weight of 205.21 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-nitrophenyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 11217973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).