ethyl (3S)-3,4-dihydropyridazine-3-carboxylate

C7H10N2O2 — CID 97303961

IUPACethyl (3S)-3,4-dihydropyridazine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CC=CN=N1
InChIInChI=1S/C7H10N2O2/c1-2-11-7(10)6-4-3-5-8-9-6/h3,5-6H,2,4H2,1H3/t6-/m0/s1
InChIKeyFJQWRLZTTDFMRL-LURJTMIESA-N
MW154.17 g/mol
LogP1.29
Rot. Bonds2

About ethyl (3S)-3,4-dihydropyridazine-3-carboxylate

ethyl (3S)-3,4-dihydropyridazine-3-carboxylate (PubChem CID 97303961) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is ethyl (3S)-3,4-dihydropyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-3,4-dihydropyridazine-3-carboxylate
PubChem CID97303961
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Nameethyl (3S)-3,4-dihydropyridazine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CC=CN=N1
InChIInChI=1S/C7H10N2O2/c1-2-11-7(10)6-4-3-5-8-9-6/h3,5-6H,2,4H2,1H3/t6-/m0/s1
InChIKeyFJQWRLZTTDFMRL-LURJTMIESA-N
XLogP1.29
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3,4-dihydro-2H-pyrrole-2-carboxylate
CID 72965039
diethyl (2S,3S)-oxirane-2,3-dicarboxylate
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ethyl (5R)-4,5-dihydro-1H-pyrazole-5-carboxylate
CID 86307720
ethyl 4-ethyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 123263588
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
ethyl (2R)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 124506439
ethyl (1R)-cyclohexa-2,4-diene-1-carboxylate
CID 142951121
ethyl 2-[(1R,6R)-6-(2-ethoxy-2-oxoethyl)cyclohex-3-en-1-yl]acetate
CID 11097129
ethyl (1R)-cyclohepta-2,5-diene-1-carboxylate
CID 11788493
diethyl cyclohept-4-ene-1,2-dicarboxylate
CID 66930380
ethyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 538229
ethyl cycloprop-2-ene-1-carboxylate
CID 14936132

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3,4-dihydropyridazine-3-carboxylate?
The IUPAC name of ethyl (3S)-3,4-dihydropyridazine-3-carboxylate (CID 97303961) is ethyl (3S)-3,4-dihydropyridazine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-3,4-dihydropyridazine-3-carboxylate?
The canonical SMILES for ethyl (3S)-3,4-dihydropyridazine-3-carboxylate is CCOC(=O)[C@@H]1CC=CN=N1.
What is the InChIKey of ethyl (3S)-3,4-dihydropyridazine-3-carboxylate?
The InChIKey is FJQWRLZTTDFMRL-LURJTMIESA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-11-7(10)6-4-3-5-8-9-6/h3,5-6H,2,4H2,1H3/t6-/m0/s1.
What are the key properties of ethyl (3S)-3,4-dihydropyridazine-3-carboxylate?
ethyl (3S)-3,4-dihydropyridazine-3-carboxylate has a molecular weight of 154.17 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3,4-dihydropyridazine-3-carboxylate is sourced from PubChem (CID 97303961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).