[2-(3-aminopropyl)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone

C14H20N2O3 — CID 107726352

IUPAC[2-(3-aminopropyl)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone
SMILESNCCCC1CCCN1C(=O)c1ccc(O)cc1O
InChIInChI=1S/C14H20N2O3/c15-7-1-3-10-4-2-8-16(10)14(19)12-6-5-11(17)9-13(12)18/h5-6,9-10,17-18H,1-4,7-8,15H2
InChIKeyGJQBJQYFHZRCKT-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.44
Rot. Bonds4

About [2-(3-aminopropyl)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone

[2-(3-aminopropyl)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone (PubChem CID 107726352) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [2-(3-aminopropyl)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name[2-(3-aminopropyl)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone
PubChem CID107726352
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[2-(3-aminopropyl)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone
SMILESNCCCC1CCCN1C(=O)c1ccc(O)cc1O
InChIInChI=1S/C14H20N2O3/c15-7-1-3-10-4-2-8-16(10)14(19)12-6-5-11(17)9-13(12)18/h5-6,9-10,17-18H,1-4,7-8,15H2
InChIKeyGJQBJQYFHZRCKT-UHFFFAOYSA-N
XLogP1.44
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dihydroxyphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261819
(2,4-dihydroxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030278
(2,5-dihydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 107722906
(4-fluoro-2-hydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 103933013
[2-(3-aminopropyl)pyrrolidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 107673329
[2-(3-aminopropyl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 63765567
[2-(3-aminopropyl)pyrrolidin-1-yl]-(2,5-dimethoxyphenyl)methanone
CID 63765380
[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104672847
(2-fluoro-4-hydroxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 86819333
(4-chloro-2-hydroxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030485
(2,5-dihydroxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107722473
(2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107722292

Frequently Asked Questions

What is the IUPAC name of [2-(3-aminopropyl)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone?
The IUPAC name of [2-(3-aminopropyl)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone (CID 107726352) is [2-(3-aminopropyl)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone.
What is the SMILES notation for [2-(3-aminopropyl)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone?
The canonical SMILES for [2-(3-aminopropyl)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone is NCCCC1CCCN1C(=O)c1ccc(O)cc1O.
What is the InChIKey of [2-(3-aminopropyl)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone?
The InChIKey is GJQBJQYFHZRCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-7-1-3-10-4-2-8-16(10)14(19)12-6-5-11(17)9-13(12)18/h5-6,9-10,17-18H,1-4,7-8,15H2.
What are the key properties of [2-(3-aminopropyl)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone?
[2-(3-aminopropyl)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone has a molecular weight of 264.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-aminopropyl)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone is sourced from PubChem (CID 107726352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).