methyl 1-pyridin-3-ylcyclobutane-1-carboxylate

C11H13NO2 — CID 116963934

IUPACmethyl 1-pyridin-3-ylcyclobutane-1-carboxylate
SMILESCOC(=O)C1(c2cccnc2)CCC1
InChIInChI=1S/C11H13NO2/c1-14-10(13)11(5-3-6-11)9-4-2-7-12-8-9/h2,4,7-8H,3,5-6H2,1H3
InChIKeyHXMCUDIZIPIBTC-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.68
Rot. Bonds2

About methyl 1-pyridin-3-ylcyclobutane-1-carboxylate

methyl 1-pyridin-3-ylcyclobutane-1-carboxylate (PubChem CID 116963934) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl 1-pyridin-3-ylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-pyridin-3-ylcyclobutane-1-carboxylate
PubChem CID116963934
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl 1-pyridin-3-ylcyclobutane-1-carboxylate
SMILESCOC(=O)C1(c2cccnc2)CCC1
InChIInChI=1S/C11H13NO2/c1-14-10(13)11(5-3-6-11)9-4-2-7-12-8-9/h2,4,7-8H,3,5-6H2,1H3
InChIKeyHXMCUDIZIPIBTC-UHFFFAOYSA-N
XLogP1.68
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl) 1-pyridin-3-ylcyclobutane-1-carboxylate
CID 166293705
methyl 3,3-difluoro-1-pyridin-3-ylcyclobutane-1-carboxylate
CID 118062001
(3-methylphenyl) 1-pyridin-3-ylcyclobutane-1-carboxylate
CID 166293703
methyl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724218
methyl 1-(3-bromophenyl)cyclobutane-1-carboxylate
CID 75487937
1,3-benzodioxol-5-yl 1-pyridin-3-ylcyclobutane-1-carboxylate
CID 166293704
(3-cyclopropyloxyphenyl) 1-pyridin-3-ylcyclopentane-1-carboxylate
CID 166242800
N-isoquinolin-6-yl-1-pyridin-3-ylcyclobutane-1-carboxamide
CID 167881675
3-(1-fluorocyclobutyl)pyridine
CID 158766896
1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide
CID 31809591
methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 59175396
ethane;3-(1-methylcyclobutyl)pyridine
CID 142353863

Frequently Asked Questions

What is the IUPAC name of methyl 1-pyridin-3-ylcyclobutane-1-carboxylate?
The IUPAC name of methyl 1-pyridin-3-ylcyclobutane-1-carboxylate (CID 116963934) is methyl 1-pyridin-3-ylcyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-pyridin-3-ylcyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-pyridin-3-ylcyclobutane-1-carboxylate is COC(=O)C1(c2cccnc2)CCC1.
What is the InChIKey of methyl 1-pyridin-3-ylcyclobutane-1-carboxylate?
The InChIKey is HXMCUDIZIPIBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-10(13)11(5-3-6-11)9-4-2-7-12-8-9/h2,4,7-8H,3,5-6H2,1H3.
What are the key properties of methyl 1-pyridin-3-ylcyclobutane-1-carboxylate?
methyl 1-pyridin-3-ylcyclobutane-1-carboxylate has a molecular weight of 191.23 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-pyridin-3-ylcyclobutane-1-carboxylate is sourced from PubChem (CID 116963934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).