3-(2,5-dihydroxypyrrol-1-yl)-N-ethylpropanamide

C9H14N2O3 — CID 123746546

IUPAC3-(2,5-dihydroxypyrrol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1c(O)ccc1O
InChIInChI=1S/C9H14N2O3/c1-2-10-7(12)5-6-11-8(13)3-4-9(11)14/h3-4,13-14H,2,5-6H2,1H3,(H,10,12)
InChIKeyPYJFFGHCCLOSAX-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.43
Rot. Bonds4

About 3-(2,5-dihydroxypyrrol-1-yl)-N-ethylpropanamide

3-(2,5-dihydroxypyrrol-1-yl)-N-ethylpropanamide (PubChem CID 123746546) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(2,5-dihydroxypyrrol-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(2,5-dihydroxypyrrol-1-yl)-N-ethylpropanamide
PubChem CID123746546
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-(2,5-dihydroxypyrrol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1c(O)ccc1O
InChIInChI=1S/C9H14N2O3/c1-2-10-7(12)5-6-11-8(13)3-4-9(11)14/h3-4,13-14H,2,5-6H2,1H3,(H,10,12)
InChIKeyPYJFFGHCCLOSAX-UHFFFAOYSA-N
XLogP0.43
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-Dihydroxypyrrol-1-yl)propan-1-one
CID 53632841
3-(2,5-Dihydroxypyrrol-1-yl)propanoic acid
CID 53739330
1-Ethylpyrrole-2,5-diol
CID 54068298
1-Pentylpyrrole-2,5-diol
CID 54382624
1-(2,5-Dihydroxypyrrol-1-yl)ethanone
CID 54531133
1-[2-[2-[2-(2-Aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol
CID 123225679
(2,5-Dihydroxypyrrol-1-yl) 3-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 90957654
(2,5-Dihydroxypyrrol-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 91465498
3-(2,5-Dihydroxypyrrol-1-yl)propyl-ethyl-dimethylazanium
CID 53638599
4-(2,5-Dihydroxypyrrol-1-yl)butan-2-one
CID 53647783
(2,5-Dihydroxypyrrol-1-yl) 3-[(2-bromoacetyl)amino]propanoate
CID 53685413
(2,5-Dihydroxypyrrol-1-yl) 4-[(2-iodoacetyl)amino]butanoate
CID 53697571

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydroxypyrrol-1-yl)-N-ethylpropanamide?
The IUPAC name of 3-(2,5-dihydroxypyrrol-1-yl)-N-ethylpropanamide (CID 123746546) is 3-(2,5-dihydroxypyrrol-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-(2,5-dihydroxypyrrol-1-yl)-N-ethylpropanamide?
The canonical SMILES for 3-(2,5-dihydroxypyrrol-1-yl)-N-ethylpropanamide is CCNC(=O)CCn1c(O)ccc1O.
What is the InChIKey of 3-(2,5-dihydroxypyrrol-1-yl)-N-ethylpropanamide?
The InChIKey is PYJFFGHCCLOSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-2-10-7(12)5-6-11-8(13)3-4-9(11)14/h3-4,13-14H,2,5-6H2,1H3,(H,10,12).
What are the key properties of 3-(2,5-dihydroxypyrrol-1-yl)-N-ethylpropanamide?
3-(2,5-dihydroxypyrrol-1-yl)-N-ethylpropanamide has a molecular weight of 198.22 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxypyrrol-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 123746546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).