5-[(1-ethylpyrrol-3-yl)methyl]-5-methylpyrrolidin-2-one

C12H18N2O — CID 104687361

IUPAC5-[(1-ethylpyrrol-3-yl)methyl]-5-methylpyrrolidin-2-one
SMILESCCn1ccc(CC2(C)CCC(=O)N2)c1
InChIInChI=1S/C12H18N2O/c1-3-14-7-5-10(9-14)8-12(2)6-4-11(15)13-12/h5,7,9H,3-4,6,8H2,1-2H3,(H,13,15)
InChIKeyUQLMDMNVHHLGNI-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.72
Rot. Bonds3

About 5-[(1-ethylpyrrol-3-yl)methyl]-5-methylpyrrolidin-2-one

5-[(1-ethylpyrrol-3-yl)methyl]-5-methylpyrrolidin-2-one (PubChem CID 104687361) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-[(1-ethylpyrrol-3-yl)methyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[(1-ethylpyrrol-3-yl)methyl]-5-methylpyrrolidin-2-one
PubChem CID104687361
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-[(1-ethylpyrrol-3-yl)methyl]-5-methylpyrrolidin-2-one
SMILESCCn1ccc(CC2(C)CCC(=O)N2)c1
InChIInChI=1S/C12H18N2O/c1-3-14-7-5-10(9-14)8-12(2)6-4-11(15)13-12/h5,7,9H,3-4,6,8H2,1-2H3,(H,13,15)
InChIKeyUQLMDMNVHHLGNI-UHFFFAOYSA-N
XLogP1.72
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(1-ethylpyrrol-3-yl)methyl]-5-methylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-ethoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 104687288
5-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 104687321
5-[[4-(difluoromethyl)phenyl]methyl]-5-methylpyrrolidin-2-one
CID 113441337
5-[(3-chlorophenyl)methyl]-5-methylpyrrolidin-2-one
CID 104687299
5-(1,3-benzodioxol-5-ylmethyl)-5-methylpyrrolidin-2-one
CID 104687362
5-[(5-ethylthiophen-2-yl)methyl]-5-methylpyrrolidin-2-one
CID 104687215
5-methyl-5-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one
CID 104687345
5-[(3-chloro-5-fluorophenyl)methyl]-5-methylpyrrolidin-2-one
CID 114455223
5-(aminomethyl)-5-methylpyrrolidin-2-one
CID 55290596
(5R)-5-(aminomethyl)-5-methylpyrrolidin-2-one;hydrochloride
CID 170901449
5-methyl-5-(thiadiazol-4-ylmethyl)pyrrolidin-2-one
CID 130592775
5-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 104687395

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpyrrol-3-yl)methyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 5-[(1-ethylpyrrol-3-yl)methyl]-5-methylpyrrolidin-2-one (CID 104687361) is 5-[(1-ethylpyrrol-3-yl)methyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[(1-ethylpyrrol-3-yl)methyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-[(1-ethylpyrrol-3-yl)methyl]-5-methylpyrrolidin-2-one is CCn1ccc(CC2(C)CCC(=O)N2)c1.
What is the InChIKey of 5-[(1-ethylpyrrol-3-yl)methyl]-5-methylpyrrolidin-2-one?
The InChIKey is UQLMDMNVHHLGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-14-7-5-10(9-14)8-12(2)6-4-11(15)13-12/h5,7,9H,3-4,6,8H2,1-2H3,(H,13,15).
What are the key properties of 5-[(1-ethylpyrrol-3-yl)methyl]-5-methylpyrrolidin-2-one?
5-[(1-ethylpyrrol-3-yl)methyl]-5-methylpyrrolidin-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpyrrol-3-yl)methyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 104687361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).