1-(2-prop-2-enoxyethyl)pyrrolidin-2-one

C9H15NO2 — CID 54198629

IUPAC1-(2-prop-2-enoxyethyl)pyrrolidin-2-one
SMILESC=CCOCCN1CCCC1=O
InChIInChI=1S/C9H15NO2/c1-2-7-12-8-6-10-5-3-4-9(10)11/h2H,1,3-8H2
InChIKeyPNQDAOUHISVDHF-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.81
Rot. Bonds5

About 1-(2-prop-2-enoxyethyl)pyrrolidin-2-one

1-(2-prop-2-enoxyethyl)pyrrolidin-2-one (PubChem CID 54198629) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(2-prop-2-enoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-prop-2-enoxyethyl)pyrrolidin-2-one
PubChem CID54198629
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(2-prop-2-enoxyethyl)pyrrolidin-2-one
SMILESC=CCOCCN1CCCC1=O
InChIInChI=1S/C9H15NO2/c1-2-7-12-8-6-10-5-3-4-9(10)11/h2H,1,3-8H2
InChIKeyPNQDAOUHISVDHF-UHFFFAOYSA-N
XLogP0.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enoxyethyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-prop-2-enoxyethyl)pyrrolidin-2-one (CID 54198629) is 1-(2-prop-2-enoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-prop-2-enoxyethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-prop-2-enoxyethyl)pyrrolidin-2-one is C=CCOCCN1CCCC1=O.
What is the InChIKey of 1-(2-prop-2-enoxyethyl)pyrrolidin-2-one?
The InChIKey is PNQDAOUHISVDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-7-12-8-6-10-5-3-4-9(10)11/h2H,1,3-8H2.
What are the key properties of 1-(2-prop-2-enoxyethyl)pyrrolidin-2-one?
1-(2-prop-2-enoxyethyl)pyrrolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 54198629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).