1-ethylpyrrolidin-2-one

C6H11NO — CID 17595

IUPAC1-ethylpyrrolidin-2-one
SMILESCCN1CCCC1=O
InChIInChI=1S/C6H11NO/c1-2-7-5-3-4-6(7)8/h2-5H2,1H3
InChIKeyZFPGARUNNKGOBB-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.63
Rot. Bonds1

About 1-ethylpyrrolidin-2-one

1-ethylpyrrolidin-2-one (PubChem CID 17595) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-ethylpyrrolidin-2-one
PubChem CID17595
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1-ethylpyrrolidin-2-one
SMILESCCN1CCCC1=O
InChIInChI=1S/C6H11NO/c1-2-7-5-3-4-6(7)8/h2-5H2,1H3
InChIKeyZFPGARUNNKGOBB-UHFFFAOYSA-N
XLogP0.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-2-pyrrolidone
CID 13387
N-Methylsuccinimide
CID 70717
N,N,N-Trimethyl-4-(2-oxo-1-pyrrolidinyl)-2-butyn-1-aminium
CID 4629
Oxotremorine methiodide
CID 3027782
N-Ethylsuccinimide
CID 16842
2-Pyrrolidinone, 1-butyl-
CID 18984
1-Pentyl-2,5-pyrrolidinedione
CID 79245
2-Pyrrolidinone, 1-(chloromethyl)-
CID 2770497
2-Pyrrolidinone, 1-acetyl-
CID 70266
N-Isopropylbutyrolactam
CID 77392
2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-
CID 199230
1,5-Dimethylpyrrolidin-2-one
CID 101194

Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrrolidin-2-one?
The IUPAC name of 1-ethylpyrrolidin-2-one (CID 17595) is 1-ethylpyrrolidin-2-one.
What is the SMILES notation for 1-ethylpyrrolidin-2-one?
The canonical SMILES for 1-ethylpyrrolidin-2-one is CCN1CCCC1=O.
What is the InChIKey of 1-ethylpyrrolidin-2-one?
The InChIKey is ZFPGARUNNKGOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-7-5-3-4-6(7)8/h2-5H2,1H3.
What are the key properties of 1-ethylpyrrolidin-2-one?
1-ethylpyrrolidin-2-one has a molecular weight of 113.16 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrrolidin-2-one is sourced from PubChem (CID 17595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).