1-[(1R)-1-(3-nitrophenyl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine

C19H20N2O2 — CID 8754233

IUPAC1-[(1R)-1-(3-nitrophenyl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine
SMILESC[C@H](c1cccc([N+](=O)[O-])c1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H20N2O2/c1-15(18-8-5-9-19(14-18)21(22)23)20-12-10-17(11-13-20)16-6-3-2-4-7-16/h2-10,14-15H,11-13H2,1H3/t15-/m1/s1
InChIKeyKKRDTKQQLLKTQS-OAHLLOKOSA-N
MW308.38 g/mol
LogP4.45
Rot. Bonds4

About 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine

1-[(1R)-1-(3-nitrophenyl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine (PubChem CID 8754233) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(1R)-1-(3-nitrophenyl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine
PubChem CID8754233
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-[(1R)-1-(3-nitrophenyl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine
SMILESC[C@H](c1cccc([N+](=O)[O-])c1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H20N2O2/c1-15(18-8-5-9-19(14-18)21(22)23)20-12-10-17(11-13-20)16-6-3-2-4-7-16/h2-10,14-15H,11-13H2,1H3/t15-/m1/s1
InChIKeyKKRDTKQQLLKTQS-OAHLLOKOSA-N
XLogP4.45
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.45
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-[1-(3-nitrophenyl)ethyl]azocane
CID 55409923
N-methyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine;hydrochloride
CID 119923683
bis(4-(4-fluorophenyl)-1-[1-(4-phenylphenyl)ethyl]-3,6-dihydro-2H-pyridine);oxalic acid
CID 174371552
4-(4-fluorophenyl)-1-[1-(4-phenylphenyl)ethyl]-3,6-dihydro-2H-pyridine;oxalic acid
CID 70076703
3-ethyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine
CID 81456943
1-(3,4-dimethylphenyl)sulfonyl-4-[(1S)-1-(3-nitrophenyl)ethyl]piperazine
CID 8691340
ethane;1-nitro-3-propan-2-ylbenzene
CID 162531562
N'-methyl-N-[(3-nitrophenyl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263714
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
1-(1-fluoroethyl)-3-nitrobenzene
CID 139245530
molecular hydrogen;1-nitro-3-propan-2-ylbenzene
CID 167689608
1-(2,4-dimethylphenyl)sulfonyl-4-[1-(3-nitrophenyl)ethyl]piperazine
CID 24679993

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine (CID 8754233) is 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine is C[C@H](c1cccc([N+](=O)[O-])c1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine?
The InChIKey is KKRDTKQQLLKTQS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-15(18-8-5-9-19(14-18)21(22)23)20-12-10-17(11-13-20)16-6-3-2-4-7-16/h2-10,14-15H,11-13H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine?
1-[(1R)-1-(3-nitrophenyl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine has a molecular weight of 308.38 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 8754233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).