methyl 3-(6-cyclopropylpyridazin-3-yl)prop-2-ynoate

C11H10N2O2 — CID 122242905

IUPACmethyl 3-(6-cyclopropylpyridazin-3-yl)prop-2-ynoate
SMILESCOC(=O)C#Cc1ccc(C2CC2)nn1
InChIInChI=1S/C11H10N2O2/c1-15-11(14)7-5-9-4-6-10(13-12-9)8-2-3-8/h4,6,8H,2-3H2,1H3
InChIKeyBUTXLZJLDILLPU-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.88
Rot. Bonds1

About methyl 3-(6-cyclopropylpyridazin-3-yl)prop-2-ynoate

methyl 3-(6-cyclopropylpyridazin-3-yl)prop-2-ynoate (PubChem CID 122242905) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 3-(6-cyclopropylpyridazin-3-yl)prop-2-ynoate.

Molecular Properties

Compound Namemethyl 3-(6-cyclopropylpyridazin-3-yl)prop-2-ynoate
PubChem CID122242905
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Namemethyl 3-(6-cyclopropylpyridazin-3-yl)prop-2-ynoate
SMILESCOC(=O)C#Cc1ccc(C2CC2)nn1
InChIInChI=1S/C11H10N2O2/c1-15-11(14)7-5-9-4-6-10(13-12-9)8-2-3-8/h4,6,8H,2-3H2,1H3
InChIKeyBUTXLZJLDILLPU-UHFFFAOYSA-N
XLogP0.88
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-cyclopropylpyridazin-3-yl)prop-2-ynoate?
The IUPAC name of methyl 3-(6-cyclopropylpyridazin-3-yl)prop-2-ynoate (CID 122242905) is methyl 3-(6-cyclopropylpyridazin-3-yl)prop-2-ynoate.
What is the SMILES notation for methyl 3-(6-cyclopropylpyridazin-3-yl)prop-2-ynoate?
The canonical SMILES for methyl 3-(6-cyclopropylpyridazin-3-yl)prop-2-ynoate is COC(=O)C#Cc1ccc(C2CC2)nn1.
What is the InChIKey of methyl 3-(6-cyclopropylpyridazin-3-yl)prop-2-ynoate?
The InChIKey is BUTXLZJLDILLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-11(14)7-5-9-4-6-10(13-12-9)8-2-3-8/h4,6,8H,2-3H2,1H3.
What are the key properties of methyl 3-(6-cyclopropylpyridazin-3-yl)prop-2-ynoate?
methyl 3-(6-cyclopropylpyridazin-3-yl)prop-2-ynoate has a molecular weight of 202.21 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-cyclopropylpyridazin-3-yl)prop-2-ynoate is sourced from PubChem (CID 122242905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).