(3E)-3-(1-methylpiperidin-2-ylidene)oxolan-2-one

C10H15NO2 — CID 10012551

IUPAC(3E)-3-(1-methylpiperidin-2-ylidene)oxolan-2-one
SMILESCN1CCCC/C1=C1/CCOC1=O
InChIInChI=1S/C10H15NO2/c1-11-6-3-2-4-9(11)8-5-7-13-10(8)12/h2-7H2,1H3/b9-8+
InChIKeyGGIMVUMAQOVJHI-CMDGGOBGSA-N
MW181.23 g/mol
LogP1.30
Rot. Bonds

About (3E)-3-(1-methylpiperidin-2-ylidene)oxolan-2-one

(3E)-3-(1-methylpiperidin-2-ylidene)oxolan-2-one (PubChem CID 10012551) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (3E)-3-(1-methylpiperidin-2-ylidene)oxolan-2-one.

Molecular Properties

Compound Name(3E)-3-(1-methylpiperidin-2-ylidene)oxolan-2-one
PubChem CID10012551
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(3E)-3-(1-methylpiperidin-2-ylidene)oxolan-2-one
SMILESCN1CCCC/C1=C1/CCOC1=O
InChIInChI=1S/C10H15NO2/c1-11-6-3-2-4-9(11)8-5-7-13-10(8)12/h2-7H2,1H3/b9-8+
InChIKeyGGIMVUMAQOVJHI-CMDGGOBGSA-N
XLogP1.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(1-methylpiperidin-2-ylidene)oxolan-2-one?
The IUPAC name of (3E)-3-(1-methylpiperidin-2-ylidene)oxolan-2-one (CID 10012551) is (3E)-3-(1-methylpiperidin-2-ylidene)oxolan-2-one.
What is the SMILES notation for (3E)-3-(1-methylpiperidin-2-ylidene)oxolan-2-one?
The canonical SMILES for (3E)-3-(1-methylpiperidin-2-ylidene)oxolan-2-one is CN1CCCC/C1=C1/CCOC1=O.
What is the InChIKey of (3E)-3-(1-methylpiperidin-2-ylidene)oxolan-2-one?
The InChIKey is GGIMVUMAQOVJHI-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H15NO2/c1-11-6-3-2-4-9(11)8-5-7-13-10(8)12/h2-7H2,1H3/b9-8+.
What are the key properties of (3E)-3-(1-methylpiperidin-2-ylidene)oxolan-2-one?
(3E)-3-(1-methylpiperidin-2-ylidene)oxolan-2-one has a molecular weight of 181.23 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(1-methylpiperidin-2-ylidene)oxolan-2-one is sourced from PubChem (CID 10012551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).