ethyl 1-cyclopropyl-5,6-dimethylidene-4-oxopyridine-3-carboxylate

C13H15NO3 — CID 123582149

IUPACethyl 1-cyclopropyl-5,6-dimethylidene-4-oxopyridine-3-carboxylate
SMILESC=c1c(=O)c(C(=O)OCC)cn(C2CC2)c1=C
InChIInChI=1S/C13H15NO3/c1-4-17-13(16)11-7-14(10-5-6-10)9(3)8(2)12(11)15/h7,10H,2-6H2,1H3
InChIKeyBERRTBHEPHYOSU-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.18
Rot. Bonds3

About ethyl 1-cyclopropyl-5,6-dimethylidene-4-oxopyridine-3-carboxylate

ethyl 1-cyclopropyl-5,6-dimethylidene-4-oxopyridine-3-carboxylate (PubChem CID 123582149) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl 1-cyclopropyl-5,6-dimethylidene-4-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclopropyl-5,6-dimethylidene-4-oxopyridine-3-carboxylate
PubChem CID123582149
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Nameethyl 1-cyclopropyl-5,6-dimethylidene-4-oxopyridine-3-carboxylate
SMILESC=c1c(=O)c(C(=O)OCC)cn(C2CC2)c1=C
InChIInChI=1S/C13H15NO3/c1-4-17-13(16)11-7-14(10-5-6-10)9(3)8(2)12(11)15/h7,10H,2-6H2,1H3
InChIKeyBERRTBHEPHYOSU-UHFFFAOYSA-N
XLogP0.18
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 1-cyclopropyl-5,7,8-trifluoro-4-oxoquinoline-3,6-dicarboxylate
CID 10524013
ethyl 5-amino-1-cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
CID 14127986
ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate
CID 166439322
diethyl 1-cyclopropylpyrrole-3,4-dicarboxylate
CID 86258713
ethyl 1-cyclopropyl-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxoquinoline-3-carboxylate
CID 11724246
ethyl 1-cyclopropyl-5-ethyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
CID 23359004
ethyl 1-cyclopentyl-7-iodo-4-oxoquinoline-3-carboxylate
CID 19081667
ethyl 1-cyclopropyl-8-ethenyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 19371459
ethyl 8-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylate
CID 18333191
ethyl 1-(4-aminocyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 70240562
ethyl 2-chloro-8-cyclopropyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 54383342
ethyl 1-cyclopropyl-7,8-difluoro-6-nitro-4-oxoquinoline-3-carboxylate
CID 139840412

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopropyl-5,6-dimethylidene-4-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 1-cyclopropyl-5,6-dimethylidene-4-oxopyridine-3-carboxylate (CID 123582149) is ethyl 1-cyclopropyl-5,6-dimethylidene-4-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-cyclopropyl-5,6-dimethylidene-4-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 1-cyclopropyl-5,6-dimethylidene-4-oxopyridine-3-carboxylate is C=c1c(=O)c(C(=O)OCC)cn(C2CC2)c1=C.
What is the InChIKey of ethyl 1-cyclopropyl-5,6-dimethylidene-4-oxopyridine-3-carboxylate?
The InChIKey is BERRTBHEPHYOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-4-17-13(16)11-7-14(10-5-6-10)9(3)8(2)12(11)15/h7,10H,2-6H2,1H3.
What are the key properties of ethyl 1-cyclopropyl-5,6-dimethylidene-4-oxopyridine-3-carboxylate?
ethyl 1-cyclopropyl-5,6-dimethylidene-4-oxopyridine-3-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclopropyl-5,6-dimethylidene-4-oxopyridine-3-carboxylate is sourced from PubChem (CID 123582149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).