2-butoxyethanol;pyrrolidin-2-one

C10H21NO3 — CID 68900014

IUPAC2-butoxyethanol;pyrrolidin-2-one
SMILESCCCCOCCO.O=C1CCCN1
InChIInChI=1S/C6H14O2.C4H7NO/c1-2-3-5-8-6-4-7;6-4-2-1-3-5-4/h7H,2-6H2,1H3;1-3H2,(H,5,6)
InChIKeyFFGACAULCMGENC-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.69
Rot. Bonds5

About 2-butoxyethanol;pyrrolidin-2-one

2-butoxyethanol;pyrrolidin-2-one (PubChem CID 68900014) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-butoxyethanol;pyrrolidin-2-one.

Molecular Properties

Compound Name2-butoxyethanol;pyrrolidin-2-one
PubChem CID68900014
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-butoxyethanol;pyrrolidin-2-one
SMILESCCCCOCCO.O=C1CCCN1
InChIInChI=1S/C6H14O2.C4H7NO/c1-2-3-5-8-6-4-7;6-4-2-1-3-5-4/h7H,2-6H2,1H3;1-3H2,(H,5,6)
InChIKeyFFGACAULCMGENC-UHFFFAOYSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-butoxyethanol;pyrrolidin-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

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;pyrrolidin-2-one
CID 158204232
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;pyrrolidin-2-one
CID 160933786
2-butoxyethanol
CID 8133
ethane-1,2-diol;ethene;pyrrolidin-2-one
CID 69133402
ethanamine;pyrrolidin-2-one
CID 175437150
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol
CID 18459544
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174801063
2-butoxyethanol;molecular nitrogen
CID 86737982
octadecanoic acid;pyrrolidin-2-one;zinc
CID 67236635
ethane;pyrrolidin-2-one
CID 54451151
2-butoxyethanol;ethanol;ethanolate;tantalum
CID 162354945
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175100397

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethanol;pyrrolidin-2-one?
The IUPAC name of 2-butoxyethanol;pyrrolidin-2-one (CID 68900014) is 2-butoxyethanol;pyrrolidin-2-one.
What is the SMILES notation for 2-butoxyethanol;pyrrolidin-2-one?
The canonical SMILES for 2-butoxyethanol;pyrrolidin-2-one is CCCCOCCO.O=C1CCCN1.
What is the InChIKey of 2-butoxyethanol;pyrrolidin-2-one?
The InChIKey is FFGACAULCMGENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C4H7NO/c1-2-3-5-8-6-4-7;6-4-2-1-3-5-4/h7H,2-6H2,1H3;1-3H2,(H,5,6).
What are the key properties of 2-butoxyethanol;pyrrolidin-2-one?
2-butoxyethanol;pyrrolidin-2-one has a molecular weight of 203.28 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethanol;pyrrolidin-2-one is sourced from PubChem (CID 68900014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).