7-methoxy-4-methyl-3-nitrochromen-2-one

C11H9NO5 — CID 118081099

IUPAC7-methoxy-4-methyl-3-nitrochromen-2-one
SMILESCOc1ccc2c(C)c([N+](=O)[O-])c(=O)oc2c1
InChIInChI=1S/C11H9NO5/c1-6-8-4-3-7(16-2)5-9(8)17-11(13)10(6)12(14)15/h3-5H,1-2H3
InChIKeyACSYSTCAEXTINU-UHFFFAOYSA-N
MW235.19 g/mol
LogP2.02
Rot. Bonds2

About 7-methoxy-4-methyl-3-nitrochromen-2-one

7-methoxy-4-methyl-3-nitrochromen-2-one (PubChem CID 118081099) has the molecular formula C11H9NO5 and a molecular weight of 235.19 g/mol. Its IUPAC name is 7-methoxy-4-methyl-3-nitrochromen-2-one.

Molecular Properties

Compound Name7-methoxy-4-methyl-3-nitrochromen-2-one
PubChem CID118081099
Molecular FormulaC11H9NO5
Molecular Weight235.19 g/mol
Exact Mass235.05
IUPAC Name7-methoxy-4-methyl-3-nitrochromen-2-one
SMILESCOc1ccc2c(C)c([N+](=O)[O-])c(=O)oc2c1
InChIInChI=1S/C11H9NO5/c1-6-8-4-3-7(16-2)5-9(8)17-11(13)10(6)12(14)15/h3-5H,1-2H3
InChIKeyACSYSTCAEXTINU-UHFFFAOYSA-N
XLogP2.02
TPSA82.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

7-methoxy-4-methyl-3-(trifluoromethyl)chromen-2-one
CID 73437941
3-(2-aminoethyl)-7-methoxy-4-methylchromen-2-one
CID 129053570
3-(dihydroxyamino)-7-methoxy-2-oxochromen-4-olate
CID 163151689
7-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylchromen-2-one
CID 52945027
4-amino-7-methyl-3-nitrochromen-2-one
CID 88988269
(3,4-dimethyl-2-oxochromen-7-yl) 4-nitrobenzenesulfonate
CID 10339427
3-(3,4-dichlorophenyl)-7-methoxy-4-methylchromen-2-one
CID 2372490
3-(4-chloro-2-methoxyphenyl)-7-methoxy-4-methylchromen-2-one
CID 118183882
(3,4-dimethyl-2-oxochromen-7-yl) 3-methoxybenzoate
CID 906943
7-methoxy-4-oxahexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1(14),2(11),5(10),6,8,12,15,17,19,21,23,25-dodecaen-3-one
CID 118617499
4-(3-acetyl-2,4-dinitrophenyl)-7-methoxychromen-2-one
CID 123464325
2-chloro-8-methoxy-3-methylbenzo[c]chromen-6-one
CID 167583154

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-3-nitrochromen-2-one?
The IUPAC name of 7-methoxy-4-methyl-3-nitrochromen-2-one (CID 118081099) is 7-methoxy-4-methyl-3-nitrochromen-2-one.
What is the SMILES notation for 7-methoxy-4-methyl-3-nitrochromen-2-one?
The canonical SMILES for 7-methoxy-4-methyl-3-nitrochromen-2-one is COc1ccc2c(C)c([N+](=O)[O-])c(=O)oc2c1.
What is the InChIKey of 7-methoxy-4-methyl-3-nitrochromen-2-one?
The InChIKey is ACSYSTCAEXTINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO5/c1-6-8-4-3-7(16-2)5-9(8)17-11(13)10(6)12(14)15/h3-5H,1-2H3.
What are the key properties of 7-methoxy-4-methyl-3-nitrochromen-2-one?
7-methoxy-4-methyl-3-nitrochromen-2-one has a molecular weight of 235.19 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methyl-3-nitrochromen-2-one is sourced from PubChem (CID 118081099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).