4-(2,5-dihydroxypyrrol-1-yl)-N-methylbutanamide

C9H14N2O3 — CID 90861012

IUPAC4-(2,5-dihydroxypyrrol-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1c(O)ccc1O
InChIInChI=1S/C9H14N2O3/c1-10-7(12)3-2-6-11-8(13)4-5-9(11)14/h4-5,13-14H,2-3,6H2,1H3,(H,10,12)
InChIKeyBCSLTHZIWDQUOA-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.43
Rot. Bonds4

About 4-(2,5-dihydroxypyrrol-1-yl)-N-methylbutanamide

4-(2,5-dihydroxypyrrol-1-yl)-N-methylbutanamide (PubChem CID 90861012) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(2,5-dihydroxypyrrol-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(2,5-dihydroxypyrrol-1-yl)-N-methylbutanamide
PubChem CID90861012
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-(2,5-dihydroxypyrrol-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1c(O)ccc1O
InChIInChI=1S/C9H14N2O3/c1-10-7(12)3-2-6-11-8(13)4-5-9(11)14/h4-5,13-14H,2-3,6H2,1H3,(H,10,12)
InChIKeyBCSLTHZIWDQUOA-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-Methylpyrrole-2,5-diol
CID 21326740
1-(2,5-Dihydroxypyrrol-1-yl)propan-1-one
CID 53632841
1-Ethylpyrrole-2,5-diol
CID 54068298
1-Pentylpyrrole-2,5-diol
CID 54382624
1-(2,5-Dihydroxypyrrol-1-yl)ethanone
CID 54531133
[4-(2,5-Dihydroxypyrrol-1-yl)oxy-4-oxobutyl]-trimethylazanium
CID 90703472
1-[2-[2-[2-(2-Aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol
CID 123225679
(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) 4-[(2-iodoacetyl)amino]butanoate
CID 53697571
3-Methyl-1-[2-(methylamino)ethyl]pyrrole-2,5-diol
CID 53700085

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydroxypyrrol-1-yl)-N-methylbutanamide?
The IUPAC name of 4-(2,5-dihydroxypyrrol-1-yl)-N-methylbutanamide (CID 90861012) is 4-(2,5-dihydroxypyrrol-1-yl)-N-methylbutanamide.
What is the SMILES notation for 4-(2,5-dihydroxypyrrol-1-yl)-N-methylbutanamide?
The canonical SMILES for 4-(2,5-dihydroxypyrrol-1-yl)-N-methylbutanamide is CNC(=O)CCCn1c(O)ccc1O.
What is the InChIKey of 4-(2,5-dihydroxypyrrol-1-yl)-N-methylbutanamide?
The InChIKey is BCSLTHZIWDQUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-10-7(12)3-2-6-11-8(13)4-5-9(11)14/h4-5,13-14H,2-3,6H2,1H3,(H,10,12).
What are the key properties of 4-(2,5-dihydroxypyrrol-1-yl)-N-methylbutanamide?
4-(2,5-dihydroxypyrrol-1-yl)-N-methylbutanamide 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 4-(2,5-dihydroxypyrrol-1-yl)-N-methylbutanamide is sourced from PubChem (CID 90861012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).