methyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate

C11H13NO2 — CID 116929876

IUPACmethyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Cc2ccccn2)CC1
InChIInChI=1S/C11H13NO2/c1-14-10(13)11(5-6-11)8-9-4-2-3-7-12-9/h2-4,7H,5-6,8H2,1H3
InChIKeyCOXFNHQMFGCDNB-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.58
Rot. Bonds3

About methyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate

methyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate (PubChem CID 116929876) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate
PubChem CID116929876
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Cc2ccccn2)CC1
InChIInChI=1S/C11H13NO2/c1-14-10(13)11(5-6-11)8-9-4-2-3-7-12-9/h2-4,7H,5-6,8H2,1H3
InChIKeyCOXFNHQMFGCDNB-UHFFFAOYSA-N
XLogP1.58
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(pyridin-2-ylmethyl)oxetane-3-carboxylate
CID 116930271
methyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate
CID 169171763
methyl 1-[(pyridin-2-ylamino)methyl]cyclobutane-1-carboxylate
CID 115247225
methyl 1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxylate
CID 116929879
1-[1-(2-pyridin-2-ylethyl)cyclopropyl]ethanone
CID 106796916
1-O-tert-butyl 4-O-ethyl 4-(pyridin-2-ylmethyl)piperidine-1,4-dicarboxylate
CID 162726373
2-[1-(pyridin-2-ylmethyl)cyclopropyl]acetic acid
CID 82403496
3-ethyl-1-(pyridin-2-ylmethyl)cyclopentane-1-carboxylic acid
CID 79428964
methyl 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxylate
CID 59152214
methyl 2-oxo-3-pyridin-2-ylpropanoate
CID 13353658
methyl 2-[1-(pyridin-2-ylmethoxy)cyclobutyl]acetate
CID 103272848
1-(pyridin-2-ylmethyl)cyclopropan-1-amine
CID 59327087

Frequently Asked Questions

What is the IUPAC name of methyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate (CID 116929876) is methyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate is COC(=O)C1(Cc2ccccn2)CC1.
What is the InChIKey of methyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate?
The InChIKey is COXFNHQMFGCDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-10(13)11(5-6-11)8-9-4-2-3-7-12-9/h2-4,7H,5-6,8H2,1H3.
What are the key properties of methyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate?
methyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate has a molecular weight of 191.23 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 116929876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).