methyl 2-pyridin-2-ylcyclopropane-1-carboxylate

C10H11NO2 — CID 91647742

IUPACmethyl 2-pyridin-2-ylcyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1c1ccccn1
InChIInChI=1S/C10H11NO2/c1-13-10(12)8-6-7(8)9-4-2-3-5-11-9/h2-5,7-8H,6H2,1H3
InChIKeyZLGLOWZDHZRZIJ-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.36
Rot. Bonds2

About methyl 2-pyridin-2-ylcyclopropane-1-carboxylate

methyl 2-pyridin-2-ylcyclopropane-1-carboxylate (PubChem CID 91647742) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is methyl 2-pyridin-2-ylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-pyridin-2-ylcyclopropane-1-carboxylate
PubChem CID91647742
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Namemethyl 2-pyridin-2-ylcyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1c1ccccn1
InChIInChI=1S/C10H11NO2/c1-13-10(12)8-6-7(8)9-4-2-3-5-11-9/h2-5,7-8H,6H2,1H3
InChIKeyZLGLOWZDHZRZIJ-UHFFFAOYSA-N
XLogP1.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-pyridin-2-ylcyclopropane-1-carboxylate?
The IUPAC name of methyl 2-pyridin-2-ylcyclopropane-1-carboxylate (CID 91647742) is methyl 2-pyridin-2-ylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-pyridin-2-ylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-pyridin-2-ylcyclopropane-1-carboxylate is COC(=O)C1CC1c1ccccn1.
What is the InChIKey of methyl 2-pyridin-2-ylcyclopropane-1-carboxylate?
The InChIKey is ZLGLOWZDHZRZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-13-10(12)8-6-7(8)9-4-2-3-5-11-9/h2-5,7-8H,6H2,1H3.
What are the key properties of methyl 2-pyridin-2-ylcyclopropane-1-carboxylate?
methyl 2-pyridin-2-ylcyclopropane-1-carboxylate has a molecular weight of 177.20 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pyridin-2-ylcyclopropane-1-carboxylate is sourced from PubChem (CID 91647742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).