acetic acid;2,3-dihydroxypropyl acetate;1-ethylpyrrolidin-2-one

C15H29NO9 — CID 174817773

IUPACacetic acid;2,3-dihydroxypropyl acetate;1-ethylpyrrolidin-2-one
SMILESCC(=O)O.CC(=O)O.CC(=O)OCC(O)CO.CCN1CCCC1=O
InChIInChI=1S/C6H11NO.C5H10O4.2C2H4O2/c1-2-7-5-3-4-6(7)8;1-4(7)9-3-5(8)2-6;2*1-2(3)4/h2-5H2,1H3;5-6,8H,2-3H2,1H3;2*1H3,(H,3,4)
InChIKeyZKFHSXULFBBKMZ-UHFFFAOYSA-N
MW367.40 g/mol
LogP-0.29
Rot. Bonds4

About acetic acid;2,3-dihydroxypropyl acetate;1-ethylpyrrolidin-2-one

acetic acid;2,3-dihydroxypropyl acetate;1-ethylpyrrolidin-2-one (PubChem CID 174817773) has the molecular formula C15H29NO9 and a molecular weight of 367.40 g/mol. Its IUPAC name is acetic acid;2,3-dihydroxypropyl acetate;1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Nameacetic acid;2,3-dihydroxypropyl acetate;1-ethylpyrrolidin-2-one
PubChem CID174817773
Molecular FormulaC15H29NO9
Molecular Weight367.40 g/mol
Exact Mass367.18
IUPAC Nameacetic acid;2,3-dihydroxypropyl acetate;1-ethylpyrrolidin-2-one
SMILESCC(=O)O.CC(=O)O.CC(=O)OCC(O)CO.CCN1CCCC1=O
InChIInChI=1S/C6H11NO.C5H10O4.2C2H4O2/c1-2-7-5-3-4-6(7)8;1-4(7)9-3-5(8)2-6;2*1-2(3)4/h2-5H2,1H3;5-6,8H,2-3H2,1H3;2*1H3,(H,3,4)
InChIKeyZKFHSXULFBBKMZ-UHFFFAOYSA-N
XLogP-0.29
TPSA161.67 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze acetic acid;2,3-dihydroxypropyl acetate;1-ethylpyrrolidin-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

1-ethylpyrrolidin-2-one;propane-1,2-diol
CID 69270275
1-ethylpyrrolidin-2-one;hydrazine
CID 159147234
copper;2,3-dihydroxypropyl acetate
CID 175414462
1-ethylpyrrolidin-2-one;sulfuric acid
CID 174895849
ethane;1-ethylpyrrolidin-2-one;methanethiol
CID 91355228
3-(2-oxopyrrolidin-1-yl)propyl acetate
CID 71390643
1-(2-oxopyrrolidin-1-yl)pentan-3-yl acetate
CID 159544369
2-hydroxy-3-(2-oxopyrrolidin-1-yl)propanoic acid
CID 66167247
1-(5-hydroxy-4-methylpentyl)pyrrolidin-2-one
CID 106159349
acetic acid;2,3-di(butanoyloxy)propyl butanoate;2,3-dihydroxypropyl acetate
CID 174547325
ethyl acetate;propane-1,2,3-triol
CID 23448368
acetic acid;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 161329261

Frequently Asked Questions

What is the IUPAC name of acetic acid;2,3-dihydroxypropyl acetate;1-ethylpyrrolidin-2-one?
The IUPAC name of acetic acid;2,3-dihydroxypropyl acetate;1-ethylpyrrolidin-2-one (CID 174817773) is acetic acid;2,3-dihydroxypropyl acetate;1-ethylpyrrolidin-2-one.
What is the SMILES notation for acetic acid;2,3-dihydroxypropyl acetate;1-ethylpyrrolidin-2-one?
The canonical SMILES for acetic acid;2,3-dihydroxypropyl acetate;1-ethylpyrrolidin-2-one is CC(=O)O.CC(=O)O.CC(=O)OCC(O)CO.CCN1CCCC1=O.
What is the InChIKey of acetic acid;2,3-dihydroxypropyl acetate;1-ethylpyrrolidin-2-one?
The InChIKey is ZKFHSXULFBBKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C5H10O4.2C2H4O2/c1-2-7-5-3-4-6(7)8;1-4(7)9-3-5(8)2-6;2*1-2(3)4/h2-5H2,1H3;5-6,8H,2-3H2,1H3;2*1H3,(H,3,4).
What are the key properties of acetic acid;2,3-dihydroxypropyl acetate;1-ethylpyrrolidin-2-one?
acetic acid;2,3-dihydroxypropyl acetate;1-ethylpyrrolidin-2-one has a molecular weight of 367.40 g/mol, XLogP of -0.29, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,3-dihydroxypropyl acetate;1-ethylpyrrolidin-2-one is sourced from PubChem (CID 174817773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).