ethyl (2R)-3,3-dicyano-2-(6-cyclopropylpyridazin-3-yl)-2-methylpropanoate

C15H16N4O2 — CID 125491480

IUPACethyl (2R)-3,3-dicyano-2-(6-cyclopropylpyridazin-3-yl)-2-methylpropanoate
SMILESCCOC(=O)[C@@](C)(c1ccc(C2CC2)nn1)C(C#N)C#N
InChIInChI=1S/C15H16N4O2/c1-3-21-14(20)15(2,11(8-16)9-17)13-7-6-12(18-19-13)10-4-5-10/h6-7,10-11H,3-5H2,1-2H3/t15-/m1/s1
InChIKeyCMNHIVYCXRMJSN-OAHLLOKOSA-N
MW284.32 g/mol
LogP1.84
Rot. Bonds5

About ethyl (2R)-3,3-dicyano-2-(6-cyclopropylpyridazin-3-yl)-2-methylpropanoate

ethyl (2R)-3,3-dicyano-2-(6-cyclopropylpyridazin-3-yl)-2-methylpropanoate (PubChem CID 125491480) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is ethyl (2R)-3,3-dicyano-2-(6-cyclopropylpyridazin-3-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-3,3-dicyano-2-(6-cyclopropylpyridazin-3-yl)-2-methylpropanoate
PubChem CID125491480
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Nameethyl (2R)-3,3-dicyano-2-(6-cyclopropylpyridazin-3-yl)-2-methylpropanoate
SMILESCCOC(=O)[C@@](C)(c1ccc(C2CC2)nn1)C(C#N)C#N
InChIInChI=1S/C15H16N4O2/c1-3-21-14(20)15(2,11(8-16)9-17)13-7-6-12(18-19-13)10-4-5-10/h6-7,10-11H,3-5H2,1-2H3/t15-/m1/s1
InChIKeyCMNHIVYCXRMJSN-OAHLLOKOSA-N
XLogP1.84
TPSA99.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (2R)-3,3-dicyano-2-(6-cyclopropylpyridazin-3-yl)-2-methylpropanoate with MolForge

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Related Compounds

ethyl 3-cyano-2-(4-cyclopropylphenyl)-2-methylpropanoate
CID 117049494
ethyl (2S)-3,3-dicyano-2-(3-fluoro-4-methoxyphenyl)-2-methylpropanoate
CID 125466779
ethyl 3-cyano-6-cyclopropylpyridine-2-carboxylate
CID 50853263
ethyl 2-tert-butyl-6-cyclopropylpyridine-3-carboxylate
CID 116533815
1-O-cyclopropyl 3-O-ethyl 2-(dicyanomethyl)-2-ethylpropanedioate
CID 123988780
ethyl 2-(cyclopropylamino)-2-(5-fluoro-2-pyridinyl)propanoate
CID 83120217
ethyl 2-(5-bromo-2-pyridinyl)-2-cyanopropanoate
CID 104572258
ethyl 4-cyano-6-cyclopropylpyridine-3-carboxylate
CID 172556928
ethyl 2-cyano-2-(5-fluoro-2-pyridinyl)propanoate
CID 104572268
diethyl 2-(dicyanomethyl)-2-propan-2-ylpropanedioate
CID 118142505
diethyl 2-(dicyanomethyl)-2,3-dimethylbutanedioate
CID 170904307
ethyl 2-(4-cyclopropylphenyl)-2,2-difluoroacetate
CID 118647046

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-3,3-dicyano-2-(6-cyclopropylpyridazin-3-yl)-2-methylpropanoate?
The IUPAC name of ethyl (2R)-3,3-dicyano-2-(6-cyclopropylpyridazin-3-yl)-2-methylpropanoate (CID 125491480) is ethyl (2R)-3,3-dicyano-2-(6-cyclopropylpyridazin-3-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl (2R)-3,3-dicyano-2-(6-cyclopropylpyridazin-3-yl)-2-methylpropanoate?
The canonical SMILES for ethyl (2R)-3,3-dicyano-2-(6-cyclopropylpyridazin-3-yl)-2-methylpropanoate is CCOC(=O)[C@@](C)(c1ccc(C2CC2)nn1)C(C#N)C#N.
What is the InChIKey of ethyl (2R)-3,3-dicyano-2-(6-cyclopropylpyridazin-3-yl)-2-methylpropanoate?
The InChIKey is CMNHIVYCXRMJSN-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-3-21-14(20)15(2,11(8-16)9-17)13-7-6-12(18-19-13)10-4-5-10/h6-7,10-11H,3-5H2,1-2H3/t15-/m1/s1.
What are the key properties of ethyl (2R)-3,3-dicyano-2-(6-cyclopropylpyridazin-3-yl)-2-methylpropanoate?
ethyl (2R)-3,3-dicyano-2-(6-cyclopropylpyridazin-3-yl)-2-methylpropanoate has a molecular weight of 284.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-3,3-dicyano-2-(6-cyclopropylpyridazin-3-yl)-2-methylpropanoate is sourced from PubChem (CID 125491480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).