ethyl 3-(6-methylpyridazin-3-yl)prop-2-enoate

C10H12N2O2 — CID 169479999

IUPACethyl 3-(6-methylpyridazin-3-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(C)nn1
InChIInChI=1S/C10H12N2O2/c1-3-14-10(13)7-6-9-5-4-8(2)11-12-9/h4-7H,3H2,1-2H3
InChIKeyXSDULEFTRJZJNZ-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.36
Rot. Bonds3

About ethyl 3-(6-methylpyridazin-3-yl)prop-2-enoate

ethyl 3-(6-methylpyridazin-3-yl)prop-2-enoate (PubChem CID 169479999) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is ethyl 3-(6-methylpyridazin-3-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(6-methylpyridazin-3-yl)prop-2-enoate
PubChem CID169479999
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Nameethyl 3-(6-methylpyridazin-3-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(C)nn1
InChIInChI=1S/C10H12N2O2/c1-3-14-10(13)7-6-9-5-4-8(2)11-12-9/h4-7H,3H2,1-2H3
InChIKeyXSDULEFTRJZJNZ-UHFFFAOYSA-N
XLogP1.36
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-(2,6-dimethyl-3-pyridinyl)prop-2-enoate
CID 164663019
ethyl 3-(5-hydroxy-2-pyridinyl)prop-2-enoate
CID 67270386
ethyl 3-(6-carbamoyl-2-pyridinyl)prop-2-enoate
CID 169480330
ethyl 3-(1-methyltriazol-4-yl)prop-2-enoate
CID 123774652
3-[6-(3-ethoxy-3-oxoprop-1-enyl)-2-pyridinyl]prop-2-enoic acid
CID 67083970
ethyl 3-(6-amino-2-pyridinyl)prop-2-enoate
CID 169480000
ethyl 3-pyrazin-2-ylprop-2-enoate
CID 123243841
ethyl (E)-3-isoquinolin-3-ylprop-2-enoate
CID 67289613
ethyl (E)-3-(5-bromopyrazin-2-yl)prop-2-enoate
CID 53259408
ethyl 3-(2-methylquinolin-6-yl)prop-2-enoate
CID 169480915
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
ethyl (E)-3-(2-anilino-1,3-thiazol-4-yl)prop-2-enoate
CID 15053530

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-methylpyridazin-3-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(6-methylpyridazin-3-yl)prop-2-enoate (CID 169479999) is ethyl 3-(6-methylpyridazin-3-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(6-methylpyridazin-3-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(6-methylpyridazin-3-yl)prop-2-enoate is CCOC(=O)C=Cc1ccc(C)nn1.
What is the InChIKey of ethyl 3-(6-methylpyridazin-3-yl)prop-2-enoate?
The InChIKey is XSDULEFTRJZJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-3-14-10(13)7-6-9-5-4-8(2)11-12-9/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 3-(6-methylpyridazin-3-yl)prop-2-enoate?
ethyl 3-(6-methylpyridazin-3-yl)prop-2-enoate has a molecular weight of 192.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6-methylpyridazin-3-yl)prop-2-enoate is sourced from PubChem (CID 169479999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).