acetic acid;1-ethylpyrrolidin-2-one

C8H15NO3 — CID 69462438

IUPACacetic acid;1-ethylpyrrolidin-2-one
SMILESCC(=O)O.CCN1CCCC1=O
InChIInChI=1S/C6H11NO.C2H4O2/c1-2-7-5-3-4-6(7)8;1-2(3)4/h2-5H2,1H3;1H3,(H,3,4)
InChIKeyXATXOPSEEWQGCP-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.72
Rot. Bonds1

About acetic acid;1-ethylpyrrolidin-2-one

acetic acid;1-ethylpyrrolidin-2-one (PubChem CID 69462438) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is acetic acid;1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Nameacetic acid;1-ethylpyrrolidin-2-one
PubChem CID69462438
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameacetic acid;1-ethylpyrrolidin-2-one
SMILESCC(=O)O.CCN1CCCC1=O
InChIInChI=1S/C6H11NO.C2H4O2/c1-2-7-5-3-4-6(7)8;1-2(3)4/h2-5H2,1H3;1H3,(H,3,4)
InChIKeyXATXOPSEEWQGCP-UHFFFAOYSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Pyrrolidinone, 1-butyl-
CID 18984
4-Oxo-4-(pyrrolidin-1-yl)butanoic acid
CID 853808
2-(2-Oxopyrrolidin-1-yl)acetic acid
CID 3146687
4-(2,5-Dioxopyrrolidin-1-yl)butanoic acid
CID 303583
4-(2-Oxopyrrolidin-1-yl)butanoic acid
CID 3146689
2-Oxo-1-pyrrolidinepropanoic acid
CID 3146688
1-Butanoylpyrrolidin-2-one
CID 242155
Pyroglutamate, (+)-
CID 9855476
beta-Methyl-2-oxo-1-pyrrolidinepropanoic acid
CID 43361090
1-(Hydroxymethyl)-1-methylpyrrolidin-1-ium-2-one
CID 19996295
N-methylpyrrolidone-water
CID 22287110
3-(2-Oxopyrrolidin-1-yl)propyl acetate
CID 71390643

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-ethylpyrrolidin-2-one?
The IUPAC name of acetic acid;1-ethylpyrrolidin-2-one (CID 69462438) is acetic acid;1-ethylpyrrolidin-2-one.
What is the SMILES notation for acetic acid;1-ethylpyrrolidin-2-one?
The canonical SMILES for acetic acid;1-ethylpyrrolidin-2-one is CC(=O)O.CCN1CCCC1=O.
What is the InChIKey of acetic acid;1-ethylpyrrolidin-2-one?
The InChIKey is XATXOPSEEWQGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C2H4O2/c1-2-7-5-3-4-6(7)8;1-2(3)4/h2-5H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-ethylpyrrolidin-2-one?
acetic acid;1-ethylpyrrolidin-2-one has a molecular weight of 173.21 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-ethylpyrrolidin-2-one is sourced from PubChem (CID 69462438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).