[3-[(E)-1-aminoprop-1-enoxy]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone

C14H18N2O3 — CID 142302216

IUPAC[3-[(E)-1-aminoprop-1-enoxy]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
SMILESC/C=C(\N)Oc1cccc(C(=O)N2CCC(O)C2)c1
InChIInChI=1S/C14H18N2O3/c1-2-13(15)19-12-5-3-4-10(8-12)14(18)16-7-6-11(17)9-16/h2-5,8,11,17H,6-7,9,15H2,1H3/b13-2+
InChIKeyQWLLFTULVYHVGO-XNJYKOPJSA-N
MW262.31 g/mol
LogP1.09
Rot. Bonds3

About [3-[(E)-1-aminoprop-1-enoxy]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone

[3-[(E)-1-aminoprop-1-enoxy]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 142302216) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is [3-[(E)-1-aminoprop-1-enoxy]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[(E)-1-aminoprop-1-enoxy]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID142302216
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name[3-[(E)-1-aminoprop-1-enoxy]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
SMILESC/C=C(\N)Oc1cccc(C(=O)N2CCC(O)C2)c1
InChIInChI=1S/C14H18N2O3/c1-2-13(15)19-12-5-3-4-10(8-12)14(18)16-7-6-11(17)9-16/h2-5,8,11,17H,6-7,9,15H2,1H3/b13-2+
InChIKeyQWLLFTULVYHVGO-XNJYKOPJSA-N
XLogP1.09
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze [3-[(E)-1-aminoprop-1-enoxy]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
2-[[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenoxy]methyl]benzonitrile
CID 111561741
(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 8779088
[3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 62918972
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 66262351
N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide
CID 111561910
(3-hydroxypyrrolidin-1-yl)-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanone
CID 156608184
(4-hydroxy-3-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 59238538
[(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 81469149
3-(4-methylpiperidine-1-carbonyl)benzenecarbothioamide
CID 24698917
(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916792

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-1-aminoprop-1-enoxy]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of [3-[(E)-1-aminoprop-1-enoxy]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone (CID 142302216) is [3-[(E)-1-aminoprop-1-enoxy]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [3-[(E)-1-aminoprop-1-enoxy]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for [3-[(E)-1-aminoprop-1-enoxy]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone is C/C=C(\N)Oc1cccc(C(=O)N2CCC(O)C2)c1.
What is the InChIKey of [3-[(E)-1-aminoprop-1-enoxy]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is QWLLFTULVYHVGO-XNJYKOPJSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-13(15)19-12-5-3-4-10(8-12)14(18)16-7-6-11(17)9-16/h2-5,8,11,17H,6-7,9,15H2,1H3/b13-2+.
What are the key properties of [3-[(E)-1-aminoprop-1-enoxy]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone?
[3-[(E)-1-aminoprop-1-enoxy]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 262.31 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-1-aminoprop-1-enoxy]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 142302216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).