3-(3-chlorophenyl)pyrrolidin-3-ol

C10H12ClNO — CID 3051542

IUPAC3-(3-chlorophenyl)pyrrolidin-3-ol
SMILESOC1(c2cccc(Cl)c2)CCNC1
InChIInChI=1S/C10H12ClNO/c11-9-3-1-2-8(6-9)10(13)4-5-12-7-10/h1-3,6,12-13H,4-5,7H2
InChIKeySUKUIJPKDGUVGV-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.52
Rot. Bonds1

About 3-(3-chlorophenyl)pyrrolidin-3-ol

3-(3-chlorophenyl)pyrrolidin-3-ol (PubChem CID 3051542) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 3-(3-chlorophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(3-chlorophenyl)pyrrolidin-3-ol
PubChem CID3051542
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name3-(3-chlorophenyl)pyrrolidin-3-ol
SMILESOC1(c2cccc(Cl)c2)CCNC1
InChIInChI=1S/C10H12ClNO/c11-9-3-1-2-8(6-9)10(13)4-5-12-7-10/h1-3,6,12-13H,4-5,7H2
InChIKeySUKUIJPKDGUVGV-UHFFFAOYSA-N
XLogP1.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)pyrrolidin-3-ol?
The IUPAC name of 3-(3-chlorophenyl)pyrrolidin-3-ol (CID 3051542) is 3-(3-chlorophenyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(3-chlorophenyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(3-chlorophenyl)pyrrolidin-3-ol is OC1(c2cccc(Cl)c2)CCNC1.
What is the InChIKey of 3-(3-chlorophenyl)pyrrolidin-3-ol?
The InChIKey is SUKUIJPKDGUVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-9-3-1-2-8(6-9)10(13)4-5-12-7-10/h1-3,6,12-13H,4-5,7H2.
What are the key properties of 3-(3-chlorophenyl)pyrrolidin-3-ol?
3-(3-chlorophenyl)pyrrolidin-3-ol has a molecular weight of 197.67 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 3051542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).