5-prop-2-enoxy-1-pyrrolidin-1-ylpentan-1-one

C12H21NO2 — CID 102449410

IUPAC5-prop-2-enoxy-1-pyrrolidin-1-ylpentan-1-one
SMILESC=CCOCCCCC(=O)N1CCCC1
InChIInChI=1S/C12H21NO2/c1-2-10-15-11-6-3-7-12(14)13-8-4-5-9-13/h2H,1,3-11H2
InChIKeyZVIVSWOJEXSOIB-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.98
Rot. Bonds7

About 5-prop-2-enoxy-1-pyrrolidin-1-ylpentan-1-one

5-prop-2-enoxy-1-pyrrolidin-1-ylpentan-1-one (PubChem CID 102449410) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 5-prop-2-enoxy-1-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name5-prop-2-enoxy-1-pyrrolidin-1-ylpentan-1-one
PubChem CID102449410
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name5-prop-2-enoxy-1-pyrrolidin-1-ylpentan-1-one
SMILESC=CCOCCCCC(=O)N1CCCC1
InChIInChI=1S/C12H21NO2/c1-2-10-15-11-6-3-7-12(14)13-8-4-5-9-13/h2H,1,3-11H2
InChIKeyZVIVSWOJEXSOIB-UHFFFAOYSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.98
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'}

Analyze 5-prop-2-enoxy-1-pyrrolidin-1-ylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enoxy-1-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 5-prop-2-enoxy-1-pyrrolidin-1-ylpentan-1-one (CID 102449410) is 5-prop-2-enoxy-1-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 5-prop-2-enoxy-1-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 5-prop-2-enoxy-1-pyrrolidin-1-ylpentan-1-one is C=CCOCCCCC(=O)N1CCCC1.
What is the InChIKey of 5-prop-2-enoxy-1-pyrrolidin-1-ylpentan-1-one?
The InChIKey is ZVIVSWOJEXSOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-10-15-11-6-3-7-12(14)13-8-4-5-9-13/h2H,1,3-11H2.
What are the key properties of 5-prop-2-enoxy-1-pyrrolidin-1-ylpentan-1-one?
5-prop-2-enoxy-1-pyrrolidin-1-ylpentan-1-one has a molecular weight of 211.30 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enoxy-1-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 102449410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).