(2-hydroxyphenyl)-pyrrolidin-3-ylmethanone

C11H13NO2 — CID 90905389

IUPAC(2-hydroxyphenyl)-pyrrolidin-3-ylmethanone
SMILESO=C(c1ccccc1O)C1CCNC1
InChIInChI=1S/C11H13NO2/c13-10-4-2-1-3-9(10)11(14)8-5-6-12-7-8/h1-4,8,12-13H,5-7H2
InChIKeySQTKJKXLWCGJTL-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.18
Rot. Bonds2

About (2-hydroxyphenyl)-pyrrolidin-3-ylmethanone

(2-hydroxyphenyl)-pyrrolidin-3-ylmethanone (PubChem CID 90905389) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (2-hydroxyphenyl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-pyrrolidin-3-ylmethanone
PubChem CID90905389
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(2-hydroxyphenyl)-pyrrolidin-3-ylmethanone
SMILESO=C(c1ccccc1O)C1CCNC1
InChIInChI=1S/C11H13NO2/c13-10-4-2-1-3-9(10)11(14)8-5-6-12-7-8/h1-4,8,12-13H,5-7H2
InChIKeySQTKJKXLWCGJTL-UHFFFAOYSA-N
XLogP1.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

pyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone
CID 116568380
cyclopropyl-(2-hydroxyphenyl)methanone
CID 14638095
phenyl-[(3R)-pyrrolidin-3-yl]methanone
CID 86327261
[2-(3-chloro-4-hydroxyphenyl)phenyl]-pyrrolidin-3-ylmethanone
CID 121230040
2-[2-(pyrrolidine-3-carbonyl)phenyl]-1H-pyridin-4-one
CID 121229997
(2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone
CID 116568315
pyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone
CID 116568229
(5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone
CID 116916892
(2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone
CID 116568434
(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843
5-methoxy-2-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid
CID 121230012
3-(pyrrolidine-3-carbonyl)benzoic acid
CID 105473765

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (2-hydroxyphenyl)-pyrrolidin-3-ylmethanone (CID 90905389) is (2-hydroxyphenyl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (2-hydroxyphenyl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (2-hydroxyphenyl)-pyrrolidin-3-ylmethanone is O=C(c1ccccc1O)C1CCNC1.
What is the InChIKey of (2-hydroxyphenyl)-pyrrolidin-3-ylmethanone?
The InChIKey is SQTKJKXLWCGJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-10-4-2-1-3-9(10)11(14)8-5-6-12-7-8/h1-4,8,12-13H,5-7H2.
What are the key properties of (2-hydroxyphenyl)-pyrrolidin-3-ylmethanone?
(2-hydroxyphenyl)-pyrrolidin-3-ylmethanone has a molecular weight of 191.23 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 90905389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).