pyrrolidin-1-yl cyclopropanecarboxylate;hydrochloride

C8H14ClNO2 — CID 174730416

IUPACpyrrolidin-1-yl cyclopropanecarboxylate;hydrochloride
SMILESCl.O=C(ON1CCCC1)C1CC1
InChIInChI=1S/C8H13NO2.ClH/c10-8(7-3-4-7)11-9-5-1-2-6-9;/h7H,1-6H2;1H
InChIKeyDKJDMGBLYQJEJK-UHFFFAOYSA-N
MW191.66 g/mol
LogP1.37
Rot. Bonds2

About pyrrolidin-1-yl cyclopropanecarboxylate;hydrochloride

pyrrolidin-1-yl cyclopropanecarboxylate;hydrochloride (PubChem CID 174730416) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is pyrrolidin-1-yl cyclopropanecarboxylate;hydrochloride.

Molecular Properties

Compound Namepyrrolidin-1-yl cyclopropanecarboxylate;hydrochloride
PubChem CID174730416
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Namepyrrolidin-1-yl cyclopropanecarboxylate;hydrochloride
SMILESCl.O=C(ON1CCCC1)C1CC1
InChIInChI=1S/C8H13NO2.ClH/c10-8(7-3-4-7)11-9-5-1-2-6-9;/h7H,1-6H2;1H
InChIKeyDKJDMGBLYQJEJK-UHFFFAOYSA-N
XLogP1.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze pyrrolidin-1-yl cyclopropanecarboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyrrolidin-1-yl cyclopropanecarboxylate
CID 154313391
(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
piperidin-1-yl 2,2-dichloroacetate
CID 57250123
benzene;piperidin-1-yl acetate
CID 66953580
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
sulfanyl cyclopropanecarboxylate
CID 174803400
methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride
CID 163685796
cyclohexylmethyl cyclopropanecarboxylate
CID 534303

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl cyclopropanecarboxylate;hydrochloride?
The IUPAC name of pyrrolidin-1-yl cyclopropanecarboxylate;hydrochloride (CID 174730416) is pyrrolidin-1-yl cyclopropanecarboxylate;hydrochloride.
What is the SMILES notation for pyrrolidin-1-yl cyclopropanecarboxylate;hydrochloride?
The canonical SMILES for pyrrolidin-1-yl cyclopropanecarboxylate;hydrochloride is Cl.O=C(ON1CCCC1)C1CC1.
What is the InChIKey of pyrrolidin-1-yl cyclopropanecarboxylate;hydrochloride?
The InChIKey is DKJDMGBLYQJEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c10-8(7-3-4-7)11-9-5-1-2-6-9;/h7H,1-6H2;1H.
What are the key properties of pyrrolidin-1-yl cyclopropanecarboxylate;hydrochloride?
pyrrolidin-1-yl cyclopropanecarboxylate;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 1.37, 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;hydrochloride is sourced from PubChem (CID 174730416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).