3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-propylpropanamide

C11H18N2O3 — CID 90740310

IUPAC3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCn1c(O)cc(C)c1O
InChIInChI=1S/C11H18N2O3/c1-3-5-12-9(14)4-6-13-10(15)7-8(2)11(13)16/h7,15-16H,3-6H2,1-2H3,(H,12,14)
InChIKeyIQAJHEODYBUKAX-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.12
Rot. Bonds5

About 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-propylpropanamide

3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-propylpropanamide (PubChem CID 90740310) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-propylpropanamide
PubChem CID90740310
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCn1c(O)cc(C)c1O
InChIInChI=1S/C11H18N2O3/c1-3-5-12-9(14)4-6-13-10(15)7-8(2)11(13)16/h7,15-16H,3-6H2,1-2H3,(H,12,14)
InChIKeyIQAJHEODYBUKAX-UHFFFAOYSA-N
XLogP1.12
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Dimethylpyrrole-2,5-diol
CID 53675327
3-[(dimethylamino)methyl]-1H-pyrrole-2,5-diol
CID 53696700
3-Methyl-1-[2-(methylamino)ethyl]pyrrole-2,5-diol
CID 53700085
N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]prop-2-enamide
CID 53737679
3-Methyl-1-piperidin-4-ylpyrrole-2,5-diol
CID 53987797
6-(2,5-Dihydroxypyrrol-1-yl)hexanamide
CID 54034188
3-(2,5-Dihydroxypyrrol-1-yl)pyrrolidin-2-one
CID 54111603
N'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide
CID 54131664
N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2-methylprop-2-enamide
CID 54146652
(2,5-Dihydroxypyrrol-1-yl) 3-(2-methylprop-2-enoylamino)propanoate
CID 54156035
2-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoazetidin-3-yl)acetamide
CID 54252739
3-(2,5-Dihydroxypyrrol-1-yl)propanamide
CID 54572257

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-propylpropanamide?
The IUPAC name of 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-propylpropanamide (CID 90740310) is 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-propylpropanamide.
What is the SMILES notation for 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-propylpropanamide?
The canonical SMILES for 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-propylpropanamide is CCCNC(=O)CCn1c(O)cc(C)c1O.
What is the InChIKey of 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-propylpropanamide?
The InChIKey is IQAJHEODYBUKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-5-12-9(14)4-6-13-10(15)7-8(2)11(13)16/h7,15-16H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-propylpropanamide?
3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-propylpropanamide has a molecular weight of 226.28 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-propylpropanamide is sourced from PubChem (CID 90740310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).