pyrrolidin-1-yl cyclopropanecarboxylate

C8H13NO2 — CID 154313391

IUPACpyrrolidin-1-yl cyclopropanecarboxylate
SMILESO=C(ON1CCCC1)C1CC1
InChIInChI=1S/C8H13NO2/c10-8(7-3-4-7)11-9-5-1-2-6-9/h7H,1-6H2
InChIKeyXZBJGDCVHHLNTN-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.95
Rot. Bonds2

About pyrrolidin-1-yl cyclopropanecarboxylate

pyrrolidin-1-yl cyclopropanecarboxylate (PubChem CID 154313391) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is pyrrolidin-1-yl cyclopropanecarboxylate.

Molecular Properties

Compound Namepyrrolidin-1-yl cyclopropanecarboxylate
PubChem CID154313391
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namepyrrolidin-1-yl cyclopropanecarboxylate
SMILESO=C(ON1CCCC1)C1CC1
InChIInChI=1S/C8H13NO2/c10-8(7-3-4-7)11-9-5-1-2-6-9/h7H,1-6H2
InChIKeyXZBJGDCVHHLNTN-UHFFFAOYSA-N
XLogP0.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

pyrrolidin-1-yl cyclopropanecarboxylate;hydrochloride
CID 174730416
(4-cyanopiperidin-1-yl) cyclopentanecarboxylate
CID 142779698
dipyrrolidin-1-yl (E)-but-2-enedioate
CID 68896347
pyrrolidin-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate
CID 57077496
methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate
CID 174789699
cyclooctanecarboperoxoic acid
CID 90238548
benzene;piperidin-1-yl acetate
CID 66953580
piperidin-1-yl 2,2-dichloroacetate
CID 57250123
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
sulfanyl cyclopropanecarboxylate
CID 174803400
cyclohexylmethyl cyclopropanecarboxylate
CID 534303
cyclopentane;(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate;iron
CID 133112729

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl cyclopropanecarboxylate?
The IUPAC name of pyrrolidin-1-yl cyclopropanecarboxylate (CID 154313391) is pyrrolidin-1-yl cyclopropanecarboxylate.
What is the SMILES notation for pyrrolidin-1-yl cyclopropanecarboxylate?
The canonical SMILES for pyrrolidin-1-yl cyclopropanecarboxylate is O=C(ON1CCCC1)C1CC1.
What is the InChIKey of pyrrolidin-1-yl cyclopropanecarboxylate?
The InChIKey is XZBJGDCVHHLNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-8(7-3-4-7)11-9-5-1-2-6-9/h7H,1-6H2.
What are the key properties of pyrrolidin-1-yl cyclopropanecarboxylate?
pyrrolidin-1-yl cyclopropanecarboxylate has a molecular weight of 155.20 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl cyclopropanecarboxylate is sourced from PubChem (CID 154313391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).