(3R)-1-[(5-chloro-4-ethenyl-2-methylphenyl)methyl]pyrrolidin-3-ol

C14H18ClNO — CID 155308592

IUPAC(3R)-1-[(5-chloro-4-ethenyl-2-methylphenyl)methyl]pyrrolidin-3-ol
SMILESC=Cc1cc(C)c(CN2CC[C@@H](O)C2)cc1Cl
InChIInChI=1S/C14H18ClNO/c1-3-11-6-10(2)12(7-14(11)15)8-16-5-4-13(17)9-16/h3,6-7,13,17H,1,4-5,8-9H2,2H3/t13-/m1/s1
InChIKeyHPLRAPQCXYWOKB-CYBMUJFWSA-N
MW251.76 g/mol
LogP2.86
Rot. Bonds3

About (3R)-1-[(5-chloro-4-ethenyl-2-methylphenyl)methyl]pyrrolidin-3-ol

(3R)-1-[(5-chloro-4-ethenyl-2-methylphenyl)methyl]pyrrolidin-3-ol (PubChem CID 155308592) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is (3R)-1-[(5-chloro-4-ethenyl-2-methylphenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(5-chloro-4-ethenyl-2-methylphenyl)methyl]pyrrolidin-3-ol
PubChem CID155308592
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name(3R)-1-[(5-chloro-4-ethenyl-2-methylphenyl)methyl]pyrrolidin-3-ol
SMILESC=Cc1cc(C)c(CN2CC[C@@H](O)C2)cc1Cl
InChIInChI=1S/C14H18ClNO/c1-3-11-6-10(2)12(7-14(11)15)8-16-5-4-13(17)9-16/h3,6-7,13,17H,1,4-5,8-9H2,2H3/t13-/m1/s1
InChIKeyHPLRAPQCXYWOKB-CYBMUJFWSA-N
XLogP2.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(5-chloro-4-ethenyl-2-methylphenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(5-chloro-4-ethenyl-2-methylphenyl)methyl]pyrrolidin-3-ol (CID 155308592) is (3R)-1-[(5-chloro-4-ethenyl-2-methylphenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(5-chloro-4-ethenyl-2-methylphenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(5-chloro-4-ethenyl-2-methylphenyl)methyl]pyrrolidin-3-ol is C=Cc1cc(C)c(CN2CC[C@@H](O)C2)cc1Cl.
What is the InChIKey of (3R)-1-[(5-chloro-4-ethenyl-2-methylphenyl)methyl]pyrrolidin-3-ol?
The InChIKey is HPLRAPQCXYWOKB-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-3-11-6-10(2)12(7-14(11)15)8-16-5-4-13(17)9-16/h3,6-7,13,17H,1,4-5,8-9H2,2H3/t13-/m1/s1.
What are the key properties of (3R)-1-[(5-chloro-4-ethenyl-2-methylphenyl)methyl]pyrrolidin-3-ol?
(3R)-1-[(5-chloro-4-ethenyl-2-methylphenyl)methyl]pyrrolidin-3-ol has a molecular weight of 251.76 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(5-chloro-4-ethenyl-2-methylphenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 155308592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).