2-ethyl-4-oxochromene-3-carbonitrile

C12H9NO2 — CID 102579893

IUPAC2-ethyl-4-oxochromene-3-carbonitrile
SMILESCCc1oc2ccccc2c(=O)c1C#N
InChIInChI=1S/C12H9NO2/c1-2-10-9(7-13)12(14)8-5-3-4-6-11(8)15-10/h3-6H,2H2,1H3
InChIKeyXTLRVOSDOMAJQH-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.23
Rot. Bonds1

About 2-ethyl-4-oxochromene-3-carbonitrile

2-ethyl-4-oxochromene-3-carbonitrile (PubChem CID 102579893) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-ethyl-4-oxochromene-3-carbonitrile.

Molecular Properties

Compound Name2-ethyl-4-oxochromene-3-carbonitrile
PubChem CID102579893
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name2-ethyl-4-oxochromene-3-carbonitrile
SMILESCCc1oc2ccccc2c(=O)c1C#N
InChIInChI=1S/C12H9NO2/c1-2-10-9(7-13)12(14)8-5-3-4-6-11(8)15-10/h3-6H,2H2,1H3
InChIKeyXTLRVOSDOMAJQH-UHFFFAOYSA-N
XLogP2.23
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-4-oxochromene-3-carbonitrile
CID 102579889
propane;xanthen-9-one
CID 90876458
2-(bromomethyl)-1-benzofuran-3-carbonitrile
CID 135156805
2-(2-ethyl-4-oxochromen-3-yl)acetic acid
CID 19096361
2-ethyl-3-(4-fluorophenyl)chromen-4-one
CID 53234762
4-ethylxanthen-9-one
CID 15075530
2-butyl-3-methylchromen-4-one
CID 174299593
4-hydrazinyl-2-oxochromene-3-carbonitrile
CID 71337522
3-ethyl-4-oxochromene-2-carboxamide
CID 151195222
2-ethyl-1-(2-ethyl-1-benzofuran-3-yl)butan-1-one
CID 63497652
2-oxo-4-[(2R)-2-phenylbutyl]chromene-3-carbonitrile
CID 138978619
2,4-diamino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
CID 71372426

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-oxochromene-3-carbonitrile?
The IUPAC name of 2-ethyl-4-oxochromene-3-carbonitrile (CID 102579893) is 2-ethyl-4-oxochromene-3-carbonitrile.
What is the SMILES notation for 2-ethyl-4-oxochromene-3-carbonitrile?
The canonical SMILES for 2-ethyl-4-oxochromene-3-carbonitrile is CCc1oc2ccccc2c(=O)c1C#N.
What is the InChIKey of 2-ethyl-4-oxochromene-3-carbonitrile?
The InChIKey is XTLRVOSDOMAJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c1-2-10-9(7-13)12(14)8-5-3-4-6-11(8)15-10/h3-6H,2H2,1H3.
What are the key properties of 2-ethyl-4-oxochromene-3-carbonitrile?
2-ethyl-4-oxochromene-3-carbonitrile has a molecular weight of 199.21 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-oxochromene-3-carbonitrile is sourced from PubChem (CID 102579893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).