methyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate

C17H17NO3 — CID 169171763

IUPACmethyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(OCc3ccccn3)cc2)CC1
InChIInChI=1S/C17H17NO3/c1-20-16(19)17(9-10-17)13-5-7-15(8-6-13)21-12-14-4-2-3-11-18-14/h2-8,11H,9-10,12H2,1H3
InChIKeyDYGJESBPIBNNKW-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.87
Rot. Bonds5

About methyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate

methyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate (PubChem CID 169171763) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate
PubChem CID169171763
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namemethyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(OCc3ccccn3)cc2)CC1
InChIInChI=1S/C17H17NO3/c1-20-16(19)17(9-10-17)13-5-7-15(8-6-13)21-12-14-4-2-3-11-18-14/h2-8,11H,9-10,12H2,1H3
InChIKeyDYGJESBPIBNNKW-UHFFFAOYSA-N
XLogP2.87
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate (CID 169171763) is methyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate is COC(=O)C1(c2ccc(OCc3ccccn3)cc2)CC1.
What is the InChIKey of methyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate?
The InChIKey is DYGJESBPIBNNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-20-16(19)17(9-10-17)13-5-7-15(8-6-13)21-12-14-4-2-3-11-18-14/h2-8,11H,9-10,12H2,1H3.
What are the key properties of methyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate?
methyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate has a molecular weight of 283.33 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 169171763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).