3-ethyl-4-oxochromene-2-carboxamide

C12H11NO3 — CID 151195222

IUPAC3-ethyl-4-oxochromene-2-carboxamide
SMILESCCc1c(C(N)=O)oc2ccccc2c1=O
InChIInChI=1S/C12H11NO3/c1-2-7-10(14)8-5-3-4-6-9(8)16-11(7)12(13)15/h3-6H,2H2,1H3,(H2,13,15)
InChIKeyNHDRMQPIQDAVBG-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.45
Rot. Bonds2

About 3-ethyl-4-oxochromene-2-carboxamide

3-ethyl-4-oxochromene-2-carboxamide (PubChem CID 151195222) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-ethyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-4-oxochromene-2-carboxamide
PubChem CID151195222
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name3-ethyl-4-oxochromene-2-carboxamide
SMILESCCc1c(C(N)=O)oc2ccccc2c1=O
InChIInChI=1S/C12H11NO3/c1-2-7-10(14)8-5-3-4-6-9(8)16-11(7)12(13)15/h3-6H,2H2,1H3,(H2,13,15)
InChIKeyNHDRMQPIQDAVBG-UHFFFAOYSA-N
XLogP1.45
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-ethyl-4-oxochromene-2-carboxylate
CID 142682858
3-(aminomethyl)-1-benzofuran-2-carboxamide
CID 47003249
3-(2-cyclohexylethyl)-4-oxochromene-2-carboxamide
CID 175851806
2-(2-ethyl-4-oxochromen-3-yl)acetic acid
CID 19096361
3-ethyl-1-benzofuran-2-carboxamide;naphthalene-2-sulfonic acid
CID 174866164
3-amino-1-benzofuran-2-carboxamide
CID 600546
(3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone
CID 12573980
propane;xanthen-9-one
CID 90876458
[1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]urea
CID 73010672
3,4-diethylchromen-2-one
CID 11680028
3-methyl-4-oxochromene-2-carboxylic acid
CID 14958195
4-ethylxanthen-9-one
CID 15075530

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-oxochromene-2-carboxamide?
The IUPAC name of 3-ethyl-4-oxochromene-2-carboxamide (CID 151195222) is 3-ethyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for 3-ethyl-4-oxochromene-2-carboxamide?
The canonical SMILES for 3-ethyl-4-oxochromene-2-carboxamide is CCc1c(C(N)=O)oc2ccccc2c1=O.
What is the InChIKey of 3-ethyl-4-oxochromene-2-carboxamide?
The InChIKey is NHDRMQPIQDAVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-7-10(14)8-5-3-4-6-9(8)16-11(7)12(13)15/h3-6H,2H2,1H3,(H2,13,15).
What are the key properties of 3-ethyl-4-oxochromene-2-carboxamide?
3-ethyl-4-oxochromene-2-carboxamide has a molecular weight of 217.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 151195222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).