methyl 3-(2-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride

C12H15Cl2NO2 — CID 138991510

IUPACmethyl 3-(2-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1(c2ccccc2Cl)CCNC1.Cl
InChIInChI=1S/C12H14ClNO2.ClH/c1-16-11(15)12(6-7-14-8-12)9-4-2-3-5-10(9)13;/h2-5,14H,6-8H2,1H3;1H
InChIKeyKCVKKGFGUAHLQH-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.17
Rot. Bonds2

About methyl 3-(2-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride

methyl 3-(2-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride (PubChem CID 138991510) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is methyl 3-(2-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(2-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride
PubChem CID138991510
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Namemethyl 3-(2-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1(c2ccccc2Cl)CCNC1.Cl
InChIInChI=1S/C12H14ClNO2.ClH/c1-16-11(15)12(6-7-14-8-12)9-4-2-3-5-10(9)13;/h2-5,14H,6-8H2,1H3;1H
InChIKeyKCVKKGFGUAHLQH-UHFFFAOYSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-(4-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
CID 45259414
methyl (2S)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
CID 45259420
methyl (2S)-2-(3-chlorophenyl)-2-piperidin-2-ylacetate;hydrochloride
CID 45259428
methyl (2R)-2-(4-chlorophenyl)-2-[(2R)-piperidin-2-yl]acetate;hydrochloride
CID 49796199
methyl (2R)-2-(4-chlorophenyl)-2-[(2S)-pyrrolidin-2-yl]acetate;hydrochloride
CID 49796205
methyl (2R)-2-(4-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]acetate;hydrochloride
CID 49796215
(R)-methyl 2-(2-chlorophenyl)-2-((R)-piperidin-2-yl)acetate
CID 44423317
methyl (2R)-2-(2-chlorophenyl)-2-[(2R)-piperidin-2-yl]acetate;hydrochloride
CID 45263495
methyl (2S)-2-(2-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
CID 45264099
methyl (2R)-2-(4-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
CID 49796195
rac-(3R,4S)-4-(4-chlorophenyl)pyrrolidine-3-carboxylic acid hydrochloride
CID 2762110
Methyl 3-(3,4-dichlorophenyl)pyrrolidine-3-carboxylate hydrochloride
CID 155822756

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 3-(2-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride (CID 138991510) is methyl 3-(2-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-(2-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-(2-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride is COC(=O)C1(c2ccccc2Cl)CCNC1.Cl.
What is the InChIKey of methyl 3-(2-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride?
The InChIKey is KCVKKGFGUAHLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2.ClH/c1-16-11(15)12(6-7-14-8-12)9-4-2-3-5-10(9)13;/h2-5,14H,6-8H2,1H3;1H.
What are the key properties of methyl 3-(2-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride?
methyl 3-(2-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride has a molecular weight of 276.16 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 138991510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).