[3-(4-chlorophenyl)pyrrolidin-3-yl] 2,2-dimethylpropanoate

C15H20ClNO2 — CID 174662539

IUPAC[3-(4-chlorophenyl)pyrrolidin-3-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1(c2ccc(Cl)cc2)CCNC1
InChIInChI=1S/C15H20ClNO2/c1-14(2,3)13(18)19-15(8-9-17-10-15)11-4-6-12(16)7-5-11/h4-7,17H,8-10H2,1-3H3
InChIKeyGYEUTWIWFCWDRM-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.12
Rot. Bonds2

About [3-(4-chlorophenyl)pyrrolidin-3-yl] 2,2-dimethylpropanoate

[3-(4-chlorophenyl)pyrrolidin-3-yl] 2,2-dimethylpropanoate (PubChem CID 174662539) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is [3-(4-chlorophenyl)pyrrolidin-3-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-(4-chlorophenyl)pyrrolidin-3-yl] 2,2-dimethylpropanoate
PubChem CID174662539
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name[3-(4-chlorophenyl)pyrrolidin-3-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1(c2ccc(Cl)cc2)CCNC1
InChIInChI=1S/C15H20ClNO2/c1-14(2,3)13(18)19-15(8-9-17-10-15)11-4-6-12(16)7-5-11/h4-7,17H,8-10H2,1-3H3
InChIKeyGYEUTWIWFCWDRM-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-methoxyphenyl)azepan-3-yl] 2,2-dimethylpropanoate
CID 174818718
[4-(4-methoxyphenyl)piperidin-4-yl] 2,2-dimethylpropanoate
CID 174809929
[4-[4-(aminomethyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate
CID 174695662
(3-phenylpiperidin-3-yl) 2-iodo-2-methylpropanoate
CID 162508404
(4-phenylpiperidin-4-yl) 2-bromo-2-methylpropanoate
CID 167316143
(3R,4S)-4-(4-chlorophenyl)-3-methylpiperidine-3,4-diol
CID 59444236
3-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 70821859
(3S)-3-(4-chlorophenyl)pyrrolidin-3-ol
CID 92967135
[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate
CID 174558419
2-(3-phenylpyrrolidin-3-yl)oxyacetic acid
CID 69238131
[3-[4-[(5S)-5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]azetidin-3-yl] 2,2-dimethylpropanoate
CID 174732464
4-(4-chlorophenyl)-4-prop-2-enoxypiperidine
CID 131863571

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)pyrrolidin-3-yl] 2,2-dimethylpropanoate?
The IUPAC name of [3-(4-chlorophenyl)pyrrolidin-3-yl] 2,2-dimethylpropanoate (CID 174662539) is [3-(4-chlorophenyl)pyrrolidin-3-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [3-(4-chlorophenyl)pyrrolidin-3-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [3-(4-chlorophenyl)pyrrolidin-3-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1(c2ccc(Cl)cc2)CCNC1.
What is the InChIKey of [3-(4-chlorophenyl)pyrrolidin-3-yl] 2,2-dimethylpropanoate?
The InChIKey is GYEUTWIWFCWDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-14(2,3)13(18)19-15(8-9-17-10-15)11-4-6-12(16)7-5-11/h4-7,17H,8-10H2,1-3H3.
What are the key properties of [3-(4-chlorophenyl)pyrrolidin-3-yl] 2,2-dimethylpropanoate?
[3-(4-chlorophenyl)pyrrolidin-3-yl] 2,2-dimethylpropanoate has a molecular weight of 281.78 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)pyrrolidin-3-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174662539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).