1-(3-hydroxyphenyl)pyrrolidin-3-ol

C10H13NO2 — CID 90894280

IUPAC1-(3-hydroxyphenyl)pyrrolidin-3-ol
SMILESOc1cccc(N2CCC(O)C2)c1
InChIInChI=1S/C10H13NO2/c12-9-3-1-2-8(6-9)11-5-4-10(13)7-11/h1-3,6,10,12-13H,4-5,7H2
InChIKeyZIVZYJWBFAGIJC-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.96
Rot. Bonds1

About 1-(3-hydroxyphenyl)pyrrolidin-3-ol

1-(3-hydroxyphenyl)pyrrolidin-3-ol (PubChem CID 90894280) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)pyrrolidin-3-ol
PubChem CID90894280
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-(3-hydroxyphenyl)pyrrolidin-3-ol
SMILESOc1cccc(N2CCC(O)C2)c1
InChIInChI=1S/C10H13NO2/c12-9-3-1-2-8(6-9)11-5-4-10(13)7-11/h1-3,6,10,12-13H,4-5,7H2
InChIKeyZIVZYJWBFAGIJC-UHFFFAOYSA-N
XLogP0.96
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxyphenyl)piperidin-4-ol
CID 59526962
1-phenylpyrrolidin-3-ol
CID 11171152
1-(3-hydroxyphenyl)azepan-4-ol
CID 115025213
3-(3-aminopyrrolidin-1-yl)phenol
CID 57034127
ethane;1-(3-methylphenyl)pyrrolidin-3-ol
CID 168922938
(3S)-1-(4-bromophenyl)pyrrolidin-3-ol
CID 67148437
1-(3-nitrophenyl)pyrrolidin-3-ol
CID 62917312
ethane;1-(3-fluorophenyl)piperidin-3-ol
CID 171539689
1-phenylpiperidin-4-ol;dihydrochloride
CID 174840165
N-[(3S)-1-(3-hydroxyphenyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 177185737
1-[4-(ethoxymethyl)phenyl]pyrrolidin-3-ol
CID 102551317
1-[4-amino-3-(aminomethyl)phenyl]pyrrolidin-3-ol
CID 82507359

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)pyrrolidin-3-ol?
The IUPAC name of 1-(3-hydroxyphenyl)pyrrolidin-3-ol (CID 90894280) is 1-(3-hydroxyphenyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(3-hydroxyphenyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(3-hydroxyphenyl)pyrrolidin-3-ol is Oc1cccc(N2CCC(O)C2)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)pyrrolidin-3-ol?
The InChIKey is ZIVZYJWBFAGIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c12-9-3-1-2-8(6-9)11-5-4-10(13)7-11/h1-3,6,10,12-13H,4-5,7H2.
What are the key properties of 1-(3-hydroxyphenyl)pyrrolidin-3-ol?
1-(3-hydroxyphenyl)pyrrolidin-3-ol has a molecular weight of 179.22 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 90894280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).