1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-5-nitropyridin-2-one

C17H17N3O5 — CID 7716041

IUPAC1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-5-nitropyridin-2-one
SMILESO=C([C@H](c1ccccc1)n1cc([N+](=O)[O-])ccc1=O)N1CCOCC1
InChIInChI=1S/C17H17N3O5/c21-15-7-6-14(20(23)24)12-19(15)16(13-4-2-1-3-5-13)17(22)18-8-10-25-11-9-18/h1-7,12,16H,8-11H2/t16-/m0/s1
InChIKeyOBHRNZVIGOKQDX-INIZCTEOSA-N
MW343.34 g/mol
LogP1.20
Rot. Bonds4

About 1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-5-nitropyridin-2-one

1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-5-nitropyridin-2-one (PubChem CID 7716041) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is 1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-5-nitropyridin-2-one.

Molecular Properties

Compound Name1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-5-nitropyridin-2-one
PubChem CID7716041
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-5-nitropyridin-2-one
SMILESO=C([C@H](c1ccccc1)n1cc([N+](=O)[O-])ccc1=O)N1CCOCC1
InChIInChI=1S/C17H17N3O5/c21-15-7-6-14(20(23)24)12-19(15)16(13-4-2-1-3-5-13)17(22)18-8-10-25-11-9-18/h1-7,12,16H,8-11H2/t16-/m0/s1
InChIKeyOBHRNZVIGOKQDX-INIZCTEOSA-N
XLogP1.20
TPSA94.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-5-nitropyridin-2-one?
The IUPAC name of 1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-5-nitropyridin-2-one (CID 7716041) is 1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-5-nitropyridin-2-one.
What is the SMILES notation for 1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-5-nitropyridin-2-one?
The canonical SMILES for 1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-5-nitropyridin-2-one is O=C([C@H](c1ccccc1)n1cc([N+](=O)[O-])ccc1=O)N1CCOCC1.
What is the InChIKey of 1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-5-nitropyridin-2-one?
The InChIKey is OBHRNZVIGOKQDX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17N3O5/c21-15-7-6-14(20(23)24)12-19(15)16(13-4-2-1-3-5-13)17(22)18-8-10-25-11-9-18/h1-7,12,16H,8-11H2/t16-/m0/s1.
What are the key properties of 1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-5-nitropyridin-2-one?
1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-5-nitropyridin-2-one has a molecular weight of 343.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-5-nitropyridin-2-one is sourced from PubChem (CID 7716041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).