3-methoxy-6-(2-nitrosoethyl)chromen-4-one

C12H11NO4 — CID 163640983

IUPAC3-methoxy-6-(2-nitrosoethyl)chromen-4-one
SMILESCOc1coc2ccc(CCN=O)cc2c1=O
InChIInChI=1S/C12H11NO4/c1-16-11-7-17-10-3-2-8(4-5-13-15)6-9(10)12(11)14/h2-3,6-7H,4-5H2,1H3
InChIKeyIEFPDROONMWTIC-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.11
Rot. Bonds4

About 3-methoxy-6-(2-nitrosoethyl)chromen-4-one

3-methoxy-6-(2-nitrosoethyl)chromen-4-one (PubChem CID 163640983) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 3-methoxy-6-(2-nitrosoethyl)chromen-4-one.

Molecular Properties

Compound Name3-methoxy-6-(2-nitrosoethyl)chromen-4-one
PubChem CID163640983
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name3-methoxy-6-(2-nitrosoethyl)chromen-4-one
SMILESCOc1coc2ccc(CCN=O)cc2c1=O
InChIInChI=1S/C12H11NO4/c1-16-11-7-17-10-3-2-8(4-5-13-15)6-9(10)12(11)14/h2-3,6-7H,4-5H2,1H3
InChIKeyIEFPDROONMWTIC-UHFFFAOYSA-N
XLogP2.11
TPSA68.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-6-[2-(4-methylphenyl)ethyl]chromen-4-one
CID 141286968
5-bromo-3-methoxy-1-benzofuran
CID 83823580
2-(5-propyl-1-benzofuran-3-yl)ethanamine
CID 81048863
1,3-dimethoxy-5-(2-nitrosoethyl)benzene
CID 132967337
3-(aminomethyl)-6-ethylchromen-4-one
CID 45094677
3-bromo-6,7-dimethoxychromen-4-one
CID 67762458
3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
CID 10804003
2-(3,4-dimethoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one
CID 58427526
3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxychromen-4-one
CID 164624979
3-[[(3,4-dimethoxyphenyl)methyl-[(2S)-2-hydroxypropyl]amino]methyl]chromen-4-one
CID 92581919
2-methoxy-6-[3-(3-methylsulfanyl-1-benzofuran-5-yl)propylamino]phenol
CID 68926651
3-(3-methylbutyl)-5-(2-methylpropyl)-1-benzofuran
CID 176774922

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(2-nitrosoethyl)chromen-4-one?
The IUPAC name of 3-methoxy-6-(2-nitrosoethyl)chromen-4-one (CID 163640983) is 3-methoxy-6-(2-nitrosoethyl)chromen-4-one.
What is the SMILES notation for 3-methoxy-6-(2-nitrosoethyl)chromen-4-one?
The canonical SMILES for 3-methoxy-6-(2-nitrosoethyl)chromen-4-one is COc1coc2ccc(CCN=O)cc2c1=O.
What is the InChIKey of 3-methoxy-6-(2-nitrosoethyl)chromen-4-one?
The InChIKey is IEFPDROONMWTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-16-11-7-17-10-3-2-8(4-5-13-15)6-9(10)12(11)14/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 3-methoxy-6-(2-nitrosoethyl)chromen-4-one?
3-methoxy-6-(2-nitrosoethyl)chromen-4-one has a molecular weight of 233.22 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(2-nitrosoethyl)chromen-4-one is sourced from PubChem (CID 163640983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).