5-cyclobutylidene-1-[2-(2-hydroxyethoxy)ethyl]pyrrol-2-one

C12H17NO3 — CID 177002874

IUPAC5-cyclobutylidene-1-[2-(2-hydroxyethoxy)ethyl]pyrrol-2-one
SMILESO=C1C=CC(=C2CCC2)N1CCOCCO
InChIInChI=1S/C12H17NO3/c14-7-9-16-8-6-13-11(4-5-12(13)15)10-2-1-3-10/h4-5,14H,1-3,6-9H2
InChIKeyQNRHWTMQQJZGMV-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.83
Rot. Bonds5

About 5-cyclobutylidene-1-[2-(2-hydroxyethoxy)ethyl]pyrrol-2-one

5-cyclobutylidene-1-[2-(2-hydroxyethoxy)ethyl]pyrrol-2-one (PubChem CID 177002874) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-cyclobutylidene-1-[2-(2-hydroxyethoxy)ethyl]pyrrol-2-one.

Molecular Properties

Compound Name5-cyclobutylidene-1-[2-(2-hydroxyethoxy)ethyl]pyrrol-2-one
PubChem CID177002874
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name5-cyclobutylidene-1-[2-(2-hydroxyethoxy)ethyl]pyrrol-2-one
SMILESO=C1C=CC(=C2CCC2)N1CCOCCO
InChIInChI=1S/C12H17NO3/c14-7-9-16-8-6-13-11(4-5-12(13)15)10-2-1-3-10/h4-5,14H,1-3,6-9H2
InChIKeyQNRHWTMQQJZGMV-UHFFFAOYSA-N
XLogP0.83
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutylidene-1-[2-(2-hydroxyethoxy)ethyl]pyrrol-2-one?
The IUPAC name of 5-cyclobutylidene-1-[2-(2-hydroxyethoxy)ethyl]pyrrol-2-one (CID 177002874) is 5-cyclobutylidene-1-[2-(2-hydroxyethoxy)ethyl]pyrrol-2-one.
What is the SMILES notation for 5-cyclobutylidene-1-[2-(2-hydroxyethoxy)ethyl]pyrrol-2-one?
The canonical SMILES for 5-cyclobutylidene-1-[2-(2-hydroxyethoxy)ethyl]pyrrol-2-one is O=C1C=CC(=C2CCC2)N1CCOCCO.
What is the InChIKey of 5-cyclobutylidene-1-[2-(2-hydroxyethoxy)ethyl]pyrrol-2-one?
The InChIKey is QNRHWTMQQJZGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-7-9-16-8-6-13-11(4-5-12(13)15)10-2-1-3-10/h4-5,14H,1-3,6-9H2.
What are the key properties of 5-cyclobutylidene-1-[2-(2-hydroxyethoxy)ethyl]pyrrol-2-one?
5-cyclobutylidene-1-[2-(2-hydroxyethoxy)ethyl]pyrrol-2-one has a molecular weight of 223.27 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutylidene-1-[2-(2-hydroxyethoxy)ethyl]pyrrol-2-one is sourced from PubChem (CID 177002874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).