6-nitro-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide

C15H14N2O6 — CID 714835

IUPAC6-nitro-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc2cc([N+](=O)[O-])ccc2oc1=O
InChIInChI=1S/C15H14N2O6/c18-14(16-8-11-2-1-5-22-11)12-7-9-6-10(17(20)21)3-4-13(9)23-15(12)19/h3-4,6-7,11H,1-2,5,8H2,(H,16,18)/t11-/m0/s1
InChIKeyIIJNGVJEDUBHGK-NSHDSACASA-N
MW318.29 g/mol
LogP1.61
Rot. Bonds4

About 6-nitro-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide

6-nitro-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide (PubChem CID 714835) has the molecular formula C15H14N2O6 and a molecular weight of 318.29 g/mol. Its IUPAC name is 6-nitro-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide.

Molecular Properties

Compound Name6-nitro-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
PubChem CID714835
Molecular FormulaC15H14N2O6
Molecular Weight318.29 g/mol
Exact Mass318.09
IUPAC Name6-nitro-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc2cc([N+](=O)[O-])ccc2oc1=O
InChIInChI=1S/C15H14N2O6/c18-14(16-8-11-2-1-5-22-11)12-7-9-6-10(17(20)21)3-4-13(9)23-15(12)19/h3-4,6-7,11H,1-2,5,8H2,(H,16,18)/t11-/m0/s1
InChIKeyIIJNGVJEDUBHGK-NSHDSACASA-N
XLogP1.61
TPSA111.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexylmethyl)-6-nitro-2-oxochromene-3-carboxamide
CID 22299683
6-chloro-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 862279
[2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 2-(4-nitrophenoxy)acetate
CID 19186848
7-hydroxy-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 5413280
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 966750
2-[benzyl(methyl)amino]-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7389968
6-nitro-2-oxo-N-phenylchromene-3-carboxamide
CID 739350
2-(4-nitrophenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1310310
2-(4-nitrophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1310311
6-nitro-2-oxochromene-3-carbonyl chloride
CID 12764546
4-chloro-2-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 789164
4-[(6-nitro-2-oxochromene-3-carbonyl)amino]benzoate
CID 6971912

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The IUPAC name of 6-nitro-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide (CID 714835) is 6-nitro-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide.
What is the SMILES notation for 6-nitro-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The canonical SMILES for 6-nitro-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide is O=C(NC[C@@H]1CCCO1)c1cc2cc([N+](=O)[O-])ccc2oc1=O.
What is the InChIKey of 6-nitro-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The InChIKey is IIJNGVJEDUBHGK-NSHDSACASA-N. The full InChI is InChI=1S/C15H14N2O6/c18-14(16-8-11-2-1-5-22-11)12-7-9-6-10(17(20)21)3-4-13(9)23-15(12)19/h3-4,6-7,11H,1-2,5,8H2,(H,16,18)/t11-/m0/s1.
What are the key properties of 6-nitro-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
6-nitro-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide has a molecular weight of 318.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide is sourced from PubChem (CID 714835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).