1-(2-hydroxyethyl)-4-methyl-2H-pyrrol-5-one

C7H11NO2 — CID 130306243

IUPAC1-(2-hydroxyethyl)-4-methyl-2H-pyrrol-5-one
SMILESCC1=CCN(CCO)C1=O
InChIInChI=1S/C7H11NO2/c1-6-2-3-8(4-5-9)7(6)10/h2,9H,3-5H2,1H3
InChIKeyFPVYTHFNWOGAPD-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.23
Rot. Bonds2

About 1-(2-hydroxyethyl)-4-methyl-2H-pyrrol-5-one

1-(2-hydroxyethyl)-4-methyl-2H-pyrrol-5-one (PubChem CID 130306243) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-4-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-4-methyl-2H-pyrrol-5-one
PubChem CID130306243
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-(2-hydroxyethyl)-4-methyl-2H-pyrrol-5-one
SMILESCC1=CCN(CCO)C1=O
InChIInChI=1S/C7H11NO2/c1-6-2-3-8(4-5-9)7(6)10/h2,9H,3-5H2,1H3
InChIKeyFPVYTHFNWOGAPD-UHFFFAOYSA-N
XLogP-0.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-1-hydroxybutan-2-yl]-3-methylpyrrole-2,5-dione
CID 57328063
1-(2-hydroxypropyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 12858661
2-Propenamide, N,N-bis(2-hydroxyethyl)-2-methyl-
CID 3084889
1-(2-methoxyethyl)-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 43346041
1-(2-Hydroxyethyl)-3,4-dimethyl-1H-pyrrole-2,5-dione
CID 15919476
N-2-hydroxyethyl-N-methylcrotonamide
CID 60747686
1-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,5-dione
CID 307256
3-Methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrole-2,5-dione
CID 105649118
1-(3,3-Difluoro-2-hydroxypropyl)-3-methylpyrrole-2,5-dione
CID 105649220
2-hydroxy-4-methyl-1-prop-2-enyl-2H-pyrrol-5-one
CID 10942654
2-hydroxy-4-methyl-5-oxo-2H-pyrrole-1-carbaldehyde
CID 13250058
N-(2-hydroxyethyl)-N,2-dimethylprop-2-enamide
CID 13531438

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-4-methyl-2H-pyrrol-5-one?
The IUPAC name of 1-(2-hydroxyethyl)-4-methyl-2H-pyrrol-5-one (CID 130306243) is 1-(2-hydroxyethyl)-4-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-4-methyl-2H-pyrrol-5-one?
The canonical SMILES for 1-(2-hydroxyethyl)-4-methyl-2H-pyrrol-5-one is CC1=CCN(CCO)C1=O.
What is the InChIKey of 1-(2-hydroxyethyl)-4-methyl-2H-pyrrol-5-one?
The InChIKey is FPVYTHFNWOGAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-6-2-3-8(4-5-9)7(6)10/h2,9H,3-5H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-4-methyl-2H-pyrrol-5-one?
1-(2-hydroxyethyl)-4-methyl-2H-pyrrol-5-one has a molecular weight of 141.17 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-4-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 130306243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).