[(2R)-1-[3-(4-chlorophenyl)prop-2-ynyl]pyrrolidin-2-yl]methanol

C14H16ClNO — CID 111825476

IUPAC[(2R)-1-[3-(4-chlorophenyl)prop-2-ynyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1CC#Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO/c15-13-7-5-12(6-8-13)3-1-9-16-10-2-4-14(16)11-17/h5-8,14,17H,2,4,9-11H2/t14-/m1/s1
InChIKeyORPJPRPWTWWDFP-CQSZACIVSA-N
MW249.74 g/mol
LogP2.15
Rot. Bonds2

About [(2R)-1-[3-(4-chlorophenyl)prop-2-ynyl]pyrrolidin-2-yl]methanol

[(2R)-1-[3-(4-chlorophenyl)prop-2-ynyl]pyrrolidin-2-yl]methanol (PubChem CID 111825476) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is [(2R)-1-[3-(4-chlorophenyl)prop-2-ynyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[3-(4-chlorophenyl)prop-2-ynyl]pyrrolidin-2-yl]methanol
PubChem CID111825476
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name[(2R)-1-[3-(4-chlorophenyl)prop-2-ynyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1CC#Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO/c15-13-7-5-12(6-8-13)3-1-9-16-10-2-4-14(16)11-17/h5-8,14,17H,2,4,9-11H2/t14-/m1/s1
InChIKeyORPJPRPWTWWDFP-CQSZACIVSA-N
XLogP2.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(3-phenylprop-2-ynyl)pyrrolidin-2-yl]methanol
CID 62339387
[1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]azepan-2-yl]methanol
CID 116637178
1-[3-(4-chlorophenyl)prop-2-ynyl]piperidin-4-ol
CID 111825435
[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 65321311
3-[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 54969684
[(2R)-1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-2-yl]methanol
CID 62046870
1-(4-chlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62035218
[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 103881513
[(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol
CID 86329631
[(2S)-1-[2-(2,5-dichlorophenyl)sulfanylethyl]pyrrolidin-2-yl]methanol
CID 78993195
3-[1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467633
[1-[[4-[[(4-chlorophenyl)methylamino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol
CID 70930550

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[3-(4-chlorophenyl)prop-2-ynyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[3-(4-chlorophenyl)prop-2-ynyl]pyrrolidin-2-yl]methanol (CID 111825476) is [(2R)-1-[3-(4-chlorophenyl)prop-2-ynyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[3-(4-chlorophenyl)prop-2-ynyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[3-(4-chlorophenyl)prop-2-ynyl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1CC#Cc1ccc(Cl)cc1.
What is the InChIKey of [(2R)-1-[3-(4-chlorophenyl)prop-2-ynyl]pyrrolidin-2-yl]methanol?
The InChIKey is ORPJPRPWTWWDFP-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16ClNO/c15-13-7-5-12(6-8-13)3-1-9-16-10-2-4-14(16)11-17/h5-8,14,17H,2,4,9-11H2/t14-/m1/s1.
What are the key properties of [(2R)-1-[3-(4-chlorophenyl)prop-2-ynyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[3-(4-chlorophenyl)prop-2-ynyl]pyrrolidin-2-yl]methanol has a molecular weight of 249.74 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[3-(4-chlorophenyl)prop-2-ynyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 111825476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).