6-methyl-8-nitrochromen-2-one

C10H7NO4 — CID 176726542

IUPAC6-methyl-8-nitrochromen-2-one
SMILESCc1cc([N+](=O)[O-])c2oc(=O)ccc2c1
InChIInChI=1S/C10H7NO4/c1-6-4-7-2-3-9(12)15-10(7)8(5-6)11(13)14/h2-5H,1H3
InChIKeyDFBDAISPQZNMRJ-UHFFFAOYSA-N
MW205.17 g/mol
LogP2.01
Rot. Bonds1

About 6-methyl-8-nitrochromen-2-one

6-methyl-8-nitrochromen-2-one (PubChem CID 176726542) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is 6-methyl-8-nitrochromen-2-one.

Molecular Properties

Compound Name6-methyl-8-nitrochromen-2-one
PubChem CID176726542
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name6-methyl-8-nitrochromen-2-one
SMILESCc1cc([N+](=O)[O-])c2oc(=O)ccc2c1
InChIInChI=1S/C10H7NO4/c1-6-4-7-2-3-9(12)15-10(7)8(5-6)11(13)14/h2-5H,1H3
InChIKeyDFBDAISPQZNMRJ-UHFFFAOYSA-N
XLogP2.01
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

6,8-dimethoxy-7-nitrochromen-2-one
CID 134989897
7-methoxy-6-nitrochromen-2-one
CID 10656586
sodium 4-methyl-2,6-dinitrophenolate
CID 102438433
6-nitro-2-oxochromene-7-carbaldehyde
CID 57367258
5-methyl-3-nitrobenzene-1,2-diol
CID 3976897
5-chloro-2-methyl-7-nitro-1-benzofuran
CID 70200690
carbon dioxide;2-methyl-7-nitro-1-benzofuran
CID 159902776
1,4-dimethyl-2-nitrobenzene
CID 20849377
4-methyl-2-nitrophenolate
CID 6989903
2,4-dichloro-N-[(E)-(5-methyl-7-nitro-1-benzofuran-2-yl)methylideneamino]benzamide
CID 133064909
1-methyl-1-(3-nitrophenyl)-2-(2-oxochromen-8-yl)guanidine
CID 18751656
1-deuteriooxy-4-methyl-2-nitrobenzene
CID 138396001

Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-nitrochromen-2-one?
The IUPAC name of 6-methyl-8-nitrochromen-2-one (CID 176726542) is 6-methyl-8-nitrochromen-2-one.
What is the SMILES notation for 6-methyl-8-nitrochromen-2-one?
The canonical SMILES for 6-methyl-8-nitrochromen-2-one is Cc1cc([N+](=O)[O-])c2oc(=O)ccc2c1.
What is the InChIKey of 6-methyl-8-nitrochromen-2-one?
The InChIKey is DFBDAISPQZNMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c1-6-4-7-2-3-9(12)15-10(7)8(5-6)11(13)14/h2-5H,1H3.
What are the key properties of 6-methyl-8-nitrochromen-2-one?
6-methyl-8-nitrochromen-2-one has a molecular weight of 205.17 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-nitrochromen-2-one is sourced from PubChem (CID 176726542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).