2,3-dimethyl-1-[2-(methylamino)propanoyl]-2H-pyrrol-5-one

C10H16N2O2 — CID 91047109

IUPAC2,3-dimethyl-1-[2-(methylamino)propanoyl]-2H-pyrrol-5-one
SMILESCNC(C)C(=O)N1C(=O)C=C(C)C1C
InChIInChI=1S/C10H16N2O2/c1-6-5-9(13)12(8(6)3)10(14)7(2)11-4/h5,7-8,11H,1-4H3
InChIKeyMNDASEMWWVFPAS-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.30
Rot. Bonds2

About 2,3-dimethyl-1-[2-(methylamino)propanoyl]-2H-pyrrol-5-one

2,3-dimethyl-1-[2-(methylamino)propanoyl]-2H-pyrrol-5-one (PubChem CID 91047109) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,3-dimethyl-1-[2-(methylamino)propanoyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name2,3-dimethyl-1-[2-(methylamino)propanoyl]-2H-pyrrol-5-one
PubChem CID91047109
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2,3-dimethyl-1-[2-(methylamino)propanoyl]-2H-pyrrol-5-one
SMILESCNC(C)C(=O)N1C(=O)C=C(C)C1C
InChIInChI=1S/C10H16N2O2/c1-6-5-9(13)12(8(6)3)10(14)7(2)11-4/h5,7-8,11H,1-4H3
InChIKeyMNDASEMWWVFPAS-UHFFFAOYSA-N
XLogP0.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-2-(5-Oxo-3-propyl-1,2-dihydropyrrol-1-yl) butyramide
CID 60105800
J38ZW5F4AN
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CID 72052087
N-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylpent-2-enamide
CID 72154971
2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pent-2-enamide
CID 72155653
(E)-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pent-2-enamide
CID 73951663
(E)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pent-2-enamide
CID 97540193
(E)-N-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylpent-2-enamide
CID 133576086
(E,4S)-N-(2-fluoroethyl)-4-[(2-formamidoacetyl)-methylamino]-2,5-dimethylhex-2-enamide
CID 89273339
(4S)-N-(2-fluoroethyl)-4-[(2-formamidoacetyl)-methylamino]-2,5-dimethylhex-2-enamide
CID 123289436
(Z,4S)-4-(2,2-dimethylpropanoylamino)-2-methyl-N-propan-2-ylpent-2-enamide
CID 11715814
(Z)-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pent-2-enamide
CID 47028372

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[2-(methylamino)propanoyl]-2H-pyrrol-5-one?
The IUPAC name of 2,3-dimethyl-1-[2-(methylamino)propanoyl]-2H-pyrrol-5-one (CID 91047109) is 2,3-dimethyl-1-[2-(methylamino)propanoyl]-2H-pyrrol-5-one.
What is the SMILES notation for 2,3-dimethyl-1-[2-(methylamino)propanoyl]-2H-pyrrol-5-one?
The canonical SMILES for 2,3-dimethyl-1-[2-(methylamino)propanoyl]-2H-pyrrol-5-one is CNC(C)C(=O)N1C(=O)C=C(C)C1C.
What is the InChIKey of 2,3-dimethyl-1-[2-(methylamino)propanoyl]-2H-pyrrol-5-one?
The InChIKey is MNDASEMWWVFPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6-5-9(13)12(8(6)3)10(14)7(2)11-4/h5,7-8,11H,1-4H3.
What are the key properties of 2,3-dimethyl-1-[2-(methylamino)propanoyl]-2H-pyrrol-5-one?
2,3-dimethyl-1-[2-(methylamino)propanoyl]-2H-pyrrol-5-one has a molecular weight of 196.25 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[2-(methylamino)propanoyl]-2H-pyrrol-5-one is sourced from PubChem (CID 91047109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).