5-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoethyl)pentanamide

C11H16N2O4 — CID 123936597

IUPAC5-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoethyl)pentanamide
SMILESO=CCNC(=O)CCCCn1c(O)ccc1O
InChIInChI=1S/C11H16N2O4/c14-8-6-12-9(15)3-1-2-7-13-10(16)4-5-11(13)17/h4-5,8,16-17H,1-3,6-7H2,(H,12,15)
InChIKeyQTTLFAPRJXZOHP-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.38
Rot. Bonds7

About 5-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoethyl)pentanamide

5-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoethyl)pentanamide (PubChem CID 123936597) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoethyl)pentanamide.

Molecular Properties

Compound Name5-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoethyl)pentanamide
PubChem CID123936597
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name5-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoethyl)pentanamide
SMILESO=CCNC(=O)CCCCn1c(O)ccc1O
InChIInChI=1S/C11H16N2O4/c14-8-6-12-9(15)3-1-2-7-13-10(16)4-5-11(13)17/h4-5,8,16-17H,1-3,6-7H2,(H,12,15)
InChIKeyQTTLFAPRJXZOHP-UHFFFAOYSA-N
XLogP0.38
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
CID 54113363
N-[13-(2,5-dihydroxypyrrol-1-yl)-12-oxotridecyl]-2,2,2-trifluoroacetamide
CID 91303808
(2,5-Dihydroxypyrrol-1-yl) 6-formamidohexanoate
CID 53633447
N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]prop-2-enamide
CID 53737679
2-(2,5-Dihydroxypyrrol-1-yl)hexanedial
CID 53782754
(2S)-4-(2,5-dihydroxypyrrol-1-yl)-N-(3-oxo-1-sulfanylbutan-2-yl)-2-sulfanylbutanamide
CID 53841332
2-(2,5-Dihydroxypyrrol-1-yl)acetamide
CID 53860573
2-(2,5-Dihydroxypyrrol-1-yl)hexanamide
CID 53928477
2-(2,5-Dihydroxypyrrol-1-yl)octanedial
CID 53952972
6-(2,5-Dihydroxypyrrol-1-yl)hexanamide
CID 54034188
3-(2,5-Dihydroxypyrrol-1-yl)pyrrolidin-2-one
CID 54111603
6-(2,5-Dihydroxypyrrol-1-yl)hexanal
CID 54155419

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoethyl)pentanamide?
The IUPAC name of 5-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoethyl)pentanamide (CID 123936597) is 5-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoethyl)pentanamide.
What is the SMILES notation for 5-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoethyl)pentanamide?
The canonical SMILES for 5-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoethyl)pentanamide is O=CCNC(=O)CCCCn1c(O)ccc1O.
What is the InChIKey of 5-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoethyl)pentanamide?
The InChIKey is QTTLFAPRJXZOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c14-8-6-12-9(15)3-1-2-7-13-10(16)4-5-11(13)17/h4-5,8,16-17H,1-3,6-7H2,(H,12,15).
What are the key properties of 5-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoethyl)pentanamide?
5-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoethyl)pentanamide has a molecular weight of 240.26 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoethyl)pentanamide is sourced from PubChem (CID 123936597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).