(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone

C11H14N2O2 — CID 62916792

IUPAC(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C11H14N2O2/c12-9-3-1-8(2-4-9)11(15)13-6-5-10(14)7-13/h1-4,10,14H,5-7,12H2
InChIKeyQVMKSFCZHVSWKI-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.48
Rot. Bonds1

About (4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone

(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 62916792) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID62916792
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C11H14N2O2/c12-9-3-1-8(2-4-9)11(15)13-6-5-10(14)7-13/h1-4,10,14H,5-7,12H2
InChIKeyQVMKSFCZHVSWKI-UHFFFAOYSA-N
XLogP0.48
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58949513
(3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 62917916
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 66262361
[4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261496
[4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261919
(4-amino-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107209802
(4-amino-3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 94895188
N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 62918779
4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide
CID 93040598
[(3S)-3-hydroxypyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 79029502
(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone (CID 62916792) is (4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone is Nc1ccc(C(=O)N2CCC(O)C2)cc1.
What is the InChIKey of (4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is QVMKSFCZHVSWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-9-3-1-8(2-4-9)11(15)13-6-5-10(14)7-13/h1-4,10,14H,5-7,12H2.
What are the key properties of (4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 206.25 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 62916792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).