(3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone

C11H13FN2O2 — CID 103840749

IUPAC(3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
SMILESNC1CCN(C(=O)c2ccc(O)cc2F)C1
InChIInChI=1S/C11H13FN2O2/c12-10-5-8(15)1-2-9(10)11(16)14-4-3-7(13)6-14/h1-2,5,7,15H,3-4,6,13H2
InChIKeySHHHIDQOCKITGZ-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.70
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone

(3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone (PubChem CID 103840749) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
PubChem CID103840749
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name(3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
SMILESNC1CCN(C(=O)c2ccc(O)cc2F)C1
InChIInChI=1S/C11H13FN2O2/c12-10-5-8(15)1-2-9(10)11(16)14-4-3-7(13)6-14/h1-2,5,7,15H,3-4,6,13H2
InChIKeySHHHIDQOCKITGZ-UHFFFAOYSA-N
XLogP0.70
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119934207
(3-aminopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 62069041
(3-chloropyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 107677548
[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 122561723
(3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119377764
[(3R)-3-aminopyrrolidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 103805029
[(3S)-3-aminopyrrolidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 103816557
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-5-hydroxyphenyl)methanone
CID 125447813
(3-aminopyrrolidin-1-yl)-(4-fluoro-2-iodophenyl)methanone
CID 103806148
[(3R)-3-aminopyrrolidin-1-yl]-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
CID 176731091
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516
[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 94339999

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone (CID 103840749) is (3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone is NC1CCN(C(=O)c2ccc(O)cc2F)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone?
The InChIKey is SHHHIDQOCKITGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-10-5-8(15)1-2-9(10)11(16)14-4-3-7(13)6-14/h1-2,5,7,15H,3-4,6,13H2.
What are the key properties of (3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone?
(3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone has a molecular weight of 224.24 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone is sourced from PubChem (CID 103840749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).