ethane;ethyl 2-(2-oxo-6-propan-2-yl-1-pyridinyl)acetate

C14H23NO3 — CID 144564410

IUPACethane;ethyl 2-(2-oxo-6-propan-2-yl-1-pyridinyl)acetate
SMILESCC.CCOC(=O)Cn1c(C(C)C)cccc1=O
InChIInChI=1S/C12H17NO3.C2H6/c1-4-16-12(15)8-13-10(9(2)3)6-5-7-11(13)14;1-2/h5-7,9H,4,8H2,1-3H3;1-2H3
InChIKeyXQFCAWHINMYCLV-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.56
Rot. Bonds4

About ethane;ethyl 2-(2-oxo-6-propan-2-yl-1-pyridinyl)acetate

ethane;ethyl 2-(2-oxo-6-propan-2-yl-1-pyridinyl)acetate (PubChem CID 144564410) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is ethane;ethyl 2-(2-oxo-6-propan-2-yl-1-pyridinyl)acetate.

Molecular Properties

Compound Nameethane;ethyl 2-(2-oxo-6-propan-2-yl-1-pyridinyl)acetate
PubChem CID144564410
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nameethane;ethyl 2-(2-oxo-6-propan-2-yl-1-pyridinyl)acetate
SMILESCC.CCOC(=O)Cn1c(C(C)C)cccc1=O
InChIInChI=1S/C12H17NO3.C2H6/c1-4-16-12(15)8-13-10(9(2)3)6-5-7-11(13)14;1-2/h5-7,9H,4,8H2,1-3H3;1-2H3
InChIKeyXQFCAWHINMYCLV-UHFFFAOYSA-N
XLogP2.56
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 6-methyl-2-oxo-1(2H)-pyridineacetate
CID 14196015
Ethyl 2-fluoro-2-(2-methyl-6-oxo-1-pyridinyl)acetate
CID 81297895
2-Methylpropyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoate
CID 84313889
Ethyl 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate
CID 12295333
Ethyl 2-(3-ethyl-2-oxocyclohepta[b]pyrrol-1-yl)acetate
CID 12852674
Methyl 2-(2-methyl-6-oxo-1-pyridinyl)acetate
CID 19019426
Tert-butyl 2-(6-cyclopropyl-3-methyl-2-oxo-1-pyridinyl)acetate
CID 20641874
3-Amino-6-isopropyl-1-(tert-butoxycarbonylmethyl)-2-pyridinone
CID 22178631
Tert-butyl 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetate
CID 22943473
1-(2,4-Dimethyl-6-oxo-1-pyridinyl)propan-2-yl 2-methylprop-2-enoate
CID 53676886
2-(2,4-Dimethyl-6-oxo-1-pyridinyl)ethyl acetate
CID 53810859
2-(2,4-Dimethyl-6-oxo-1-pyridinyl)ethyl 2-methylprop-2-enoate
CID 54028244

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-(2-oxo-6-propan-2-yl-1-pyridinyl)acetate?
The IUPAC name of ethane;ethyl 2-(2-oxo-6-propan-2-yl-1-pyridinyl)acetate (CID 144564410) is ethane;ethyl 2-(2-oxo-6-propan-2-yl-1-pyridinyl)acetate.
What is the SMILES notation for ethane;ethyl 2-(2-oxo-6-propan-2-yl-1-pyridinyl)acetate?
The canonical SMILES for ethane;ethyl 2-(2-oxo-6-propan-2-yl-1-pyridinyl)acetate is CC.CCOC(=O)Cn1c(C(C)C)cccc1=O.
What is the InChIKey of ethane;ethyl 2-(2-oxo-6-propan-2-yl-1-pyridinyl)acetate?
The InChIKey is XQFCAWHINMYCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3.C2H6/c1-4-16-12(15)8-13-10(9(2)3)6-5-7-11(13)14;1-2/h5-7,9H,4,8H2,1-3H3;1-2H3.
What are the key properties of ethane;ethyl 2-(2-oxo-6-propan-2-yl-1-pyridinyl)acetate?
ethane;ethyl 2-(2-oxo-6-propan-2-yl-1-pyridinyl)acetate has a molecular weight of 253.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-(2-oxo-6-propan-2-yl-1-pyridinyl)acetate is sourced from PubChem (CID 144564410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).