(3S)-1-[2-(3-chlorophenyl)propyl]pyrrolidin-3-ol

C13H18ClNO — CID 86804138

IUPAC(3S)-1-[2-(3-chlorophenyl)propyl]pyrrolidin-3-ol
SMILESCC(CN1CC[C@H](O)C1)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-10(8-15-6-5-13(16)9-15)11-3-2-4-12(14)7-11/h2-4,7,10,13,16H,5-6,8-9H2,1H3/t10?,13-/m0/s1
InChIKeyIXQQFBZPMSAQAL-HQVZTVAUSA-N
MW239.75 g/mol
LogP2.51
Rot. Bonds3

About (3S)-1-[2-(3-chlorophenyl)propyl]pyrrolidin-3-ol

(3S)-1-[2-(3-chlorophenyl)propyl]pyrrolidin-3-ol (PubChem CID 86804138) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is (3S)-1-[2-(3-chlorophenyl)propyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[2-(3-chlorophenyl)propyl]pyrrolidin-3-ol
PubChem CID86804138
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name(3S)-1-[2-(3-chlorophenyl)propyl]pyrrolidin-3-ol
SMILESCC(CN1CC[C@H](O)C1)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-10(8-15-6-5-13(16)9-15)11-3-2-4-12(14)7-11/h2-4,7,10,13,16H,5-6,8-9H2,1H3/t10?,13-/m0/s1
InChIKeyIXQQFBZPMSAQAL-HQVZTVAUSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(3-chlorophenyl)propyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[2-(3-chlorophenyl)propyl]pyrrolidin-3-ol (CID 86804138) is (3S)-1-[2-(3-chlorophenyl)propyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[2-(3-chlorophenyl)propyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[2-(3-chlorophenyl)propyl]pyrrolidin-3-ol is CC(CN1CC[C@H](O)C1)c1cccc(Cl)c1.
What is the InChIKey of (3S)-1-[2-(3-chlorophenyl)propyl]pyrrolidin-3-ol?
The InChIKey is IXQQFBZPMSAQAL-HQVZTVAUSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10(8-15-6-5-13(16)9-15)11-3-2-4-12(14)7-11/h2-4,7,10,13,16H,5-6,8-9H2,1H3/t10?,13-/m0/s1.
What are the key properties of (3S)-1-[2-(3-chlorophenyl)propyl]pyrrolidin-3-ol?
(3S)-1-[2-(3-chlorophenyl)propyl]pyrrolidin-3-ol has a molecular weight of 239.75 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(3-chlorophenyl)propyl]pyrrolidin-3-ol is sourced from PubChem (CID 86804138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).