(3Z)-3-(piperidin-1-ylmethylidene)oxolan-2-one

C10H15NO2 — CID 6245810

IUPAC(3Z)-3-(piperidin-1-ylmethylidene)oxolan-2-one
SMILESO=C1OCC/C1=C/N1CCCCC1
InChIInChI=1S/C10H15NO2/c12-10-9(4-7-13-10)8-11-5-2-1-3-6-11/h8H,1-7H2/b9-8-
InChIKeyGQMPSBUXNPJJDP-HJWRWDBZSA-N
MW181.23 g/mol
LogP1.30
Rot. Bonds1

About (3Z)-3-(piperidin-1-ylmethylidene)oxolan-2-one

(3Z)-3-(piperidin-1-ylmethylidene)oxolan-2-one (PubChem CID 6245810) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (3Z)-3-(piperidin-1-ylmethylidene)oxolan-2-one.

Molecular Properties

Compound Name(3Z)-3-(piperidin-1-ylmethylidene)oxolan-2-one
PubChem CID6245810
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(3Z)-3-(piperidin-1-ylmethylidene)oxolan-2-one
SMILESO=C1OCC/C1=C/N1CCCCC1
InChIInChI=1S/C10H15NO2/c12-10-9(4-7-13-10)8-11-5-2-1-3-6-11/h8H,1-7H2/b9-8-
InChIKeyGQMPSBUXNPJJDP-HJWRWDBZSA-N
XLogP1.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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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Related Compounds

3-(Piperidin-1-ylmethylidene)oxolan-2-one
CID 304568
(3E)-3-(diethylaminomethylidene)oxolan-2-one
CID 5383831
(3E)-3-(piperidin-1-ylmethylidene)oxolan-2-one
CID 6390738
(3E)-3-(morpholin-4-ylmethylidene)oxolan-2-one
CID 11309905
(3E)-3-(pyrrolidin-1-ylmethylidene)oxolan-2-one
CID 13353952
3-Methylidene-5-piperidin-1-yloxolan-2-one;hydrochloride
CID 175578377
3-(Diethylaminomethylidene)oxolan-2-one
CID 304567
(3Z)-3-(morpholin-4-ylmethylidene)oxolan-2-one
CID 13353954
(3Z)-3-(piperidin-1-ylmethylidene)oxolane-2,4-dione
CID 21786875
(3Z)-3-(diethylaminomethylidene)oxolan-2-one
CID 98526550
3-Methylidene-5-piperidin-1-yloxolan-2-one
CID 175578378

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(piperidin-1-ylmethylidene)oxolan-2-one?
The IUPAC name of (3Z)-3-(piperidin-1-ylmethylidene)oxolan-2-one (CID 6245810) is (3Z)-3-(piperidin-1-ylmethylidene)oxolan-2-one.
What is the SMILES notation for (3Z)-3-(piperidin-1-ylmethylidene)oxolan-2-one?
The canonical SMILES for (3Z)-3-(piperidin-1-ylmethylidene)oxolan-2-one is O=C1OCC/C1=C/N1CCCCC1.
What is the InChIKey of (3Z)-3-(piperidin-1-ylmethylidene)oxolan-2-one?
The InChIKey is GQMPSBUXNPJJDP-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H15NO2/c12-10-9(4-7-13-10)8-11-5-2-1-3-6-11/h8H,1-7H2/b9-8-.
What are the key properties of (3Z)-3-(piperidin-1-ylmethylidene)oxolan-2-one?
(3Z)-3-(piperidin-1-ylmethylidene)oxolan-2-one has a molecular weight of 181.23 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(piperidin-1-ylmethylidene)oxolan-2-one is sourced from PubChem (CID 6245810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).