bis(1,4-dimethylpyrrolidin-2-one);1-methylpyrrolidin-2-one

C17H31N3O3 — CID 144898071

IUPACbis(1,4-dimethylpyrrolidin-2-one);1-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(C)C1.CC1CC(=O)N(C)C1.CN1CCCC1=O
InChIInChI=1S/2C6H11NO.C5H9NO/c2*1-5-3-6(8)7(2)4-5;1-6-4-2-3-5(6)7/h2*5H,3-4H2,1-2H3;2-4H2,1H3
InChIKeyGRCMTKXNABOTIV-UHFFFAOYSA-N
MW325.45 g/mol
LogP1.21
Rot. Bonds

About bis(1,4-dimethylpyrrolidin-2-one);1-methylpyrrolidin-2-one

bis(1,4-dimethylpyrrolidin-2-one);1-methylpyrrolidin-2-one (PubChem CID 144898071) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is bis(1,4-dimethylpyrrolidin-2-one);1-methylpyrrolidin-2-one.

Molecular Properties

Compound Namebis(1,4-dimethylpyrrolidin-2-one);1-methylpyrrolidin-2-one
PubChem CID144898071
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Namebis(1,4-dimethylpyrrolidin-2-one);1-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(C)C1.CC1CC(=O)N(C)C1.CN1CCCC1=O
InChIInChI=1S/2C6H11NO.C5H9NO/c2*1-5-3-6(8)7(2)4-5;1-6-4-2-3-5(6)7/h2*5H,3-4H2,1-2H3;2-4H2,1H3
InChIKeyGRCMTKXNABOTIV-UHFFFAOYSA-N
XLogP1.21
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one
CID 14964494
(3S)-3-methyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
CID 14964495
3-Methyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
CID 14964496
4-Methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one
CID 14964507
(4R)-4-methyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
CID 14964506
4-Methyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
CID 44369969
(3aR,6aS)-5-isopentyl-2-[3-(2-oxo-1-pyrrolidinyl)propyl]tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
CID 91905926
1-Isopentyl-4-(1-pyrrolidinylcarbonyl)-2-pyrrolidinone
CID 42656794
2-Pyrrolidinone, 1,1'-(2-methyl-1,5-pentanediyl)bis-
CID 54004500
1-Butylpyrrolidin-2-one;1-propylpyrrolidin-2-one
CID 19080527
NMP N-methylpyrrolidone
CID 22057702
1-Ethylpyrrolidin-2-one;1-propylpyrrolidin-2-one
CID 22595138

Frequently Asked Questions

What is the IUPAC name of bis(1,4-dimethylpyrrolidin-2-one);1-methylpyrrolidin-2-one?
The IUPAC name of bis(1,4-dimethylpyrrolidin-2-one);1-methylpyrrolidin-2-one (CID 144898071) is bis(1,4-dimethylpyrrolidin-2-one);1-methylpyrrolidin-2-one.
What is the SMILES notation for bis(1,4-dimethylpyrrolidin-2-one);1-methylpyrrolidin-2-one?
The canonical SMILES for bis(1,4-dimethylpyrrolidin-2-one);1-methylpyrrolidin-2-one is CC1CC(=O)N(C)C1.CC1CC(=O)N(C)C1.CN1CCCC1=O.
What is the InChIKey of bis(1,4-dimethylpyrrolidin-2-one);1-methylpyrrolidin-2-one?
The InChIKey is GRCMTKXNABOTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11NO.C5H9NO/c2*1-5-3-6(8)7(2)4-5;1-6-4-2-3-5(6)7/h2*5H,3-4H2,1-2H3;2-4H2,1H3.
What are the key properties of bis(1,4-dimethylpyrrolidin-2-one);1-methylpyrrolidin-2-one?
bis(1,4-dimethylpyrrolidin-2-one);1-methylpyrrolidin-2-one has a molecular weight of 325.45 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-dimethylpyrrolidin-2-one);1-methylpyrrolidin-2-one is sourced from PubChem (CID 144898071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).