6-hydroxy-1-[(Z,3Z)-3-[(methylideneamino)methylidene]hex-4-enyl]piperidin-2-one

C13H20N2O2 — CID 155198881

IUPAC6-hydroxy-1-[(Z,3Z)-3-[(methylideneamino)methylidene]hex-4-enyl]piperidin-2-one
SMILESC=N/C=C(\C=C/C)CCN1C(=O)CCCC1O
InChIInChI=1S/C13H20N2O2/c1-3-5-11(10-14-2)8-9-15-12(16)6-4-7-13(15)17/h3,5,10,12,16H,2,4,6-9H2,1H3/b5-3-,11-10+
InChIKeyKZEDZQNHYJKKND-OFSYMQIBSA-N
MW236.31 g/mol
LogP1.87
Rot. Bonds5

About 6-hydroxy-1-[(Z,3Z)-3-[(methylideneamino)methylidene]hex-4-enyl]piperidin-2-one

6-hydroxy-1-[(Z,3Z)-3-[(methylideneamino)methylidene]hex-4-enyl]piperidin-2-one (PubChem CID 155198881) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 6-hydroxy-1-[(Z,3Z)-3-[(methylideneamino)methylidene]hex-4-enyl]piperidin-2-one.

Molecular Properties

Compound Name6-hydroxy-1-[(Z,3Z)-3-[(methylideneamino)methylidene]hex-4-enyl]piperidin-2-one
PubChem CID155198881
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name6-hydroxy-1-[(Z,3Z)-3-[(methylideneamino)methylidene]hex-4-enyl]piperidin-2-one
SMILESC=N/C=C(\C=C/C)CCN1C(=O)CCCC1O
InChIInChI=1S/C13H20N2O2/c1-3-5-11(10-14-2)8-9-15-12(16)6-4-7-13(15)17/h3,5,10,12,16H,2,4,6-9H2,1H3/b5-3-,11-10+
InChIKeyKZEDZQNHYJKKND-OFSYMQIBSA-N
XLogP1.87
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-[(Z,3Z)-3-[(methylideneamino)methylidene]hex-4-enyl]piperidin-2-one?
The IUPAC name of 6-hydroxy-1-[(Z,3Z)-3-[(methylideneamino)methylidene]hex-4-enyl]piperidin-2-one (CID 155198881) is 6-hydroxy-1-[(Z,3Z)-3-[(methylideneamino)methylidene]hex-4-enyl]piperidin-2-one.
What is the SMILES notation for 6-hydroxy-1-[(Z,3Z)-3-[(methylideneamino)methylidene]hex-4-enyl]piperidin-2-one?
The canonical SMILES for 6-hydroxy-1-[(Z,3Z)-3-[(methylideneamino)methylidene]hex-4-enyl]piperidin-2-one is C=N/C=C(\C=C/C)CCN1C(=O)CCCC1O.
What is the InChIKey of 6-hydroxy-1-[(Z,3Z)-3-[(methylideneamino)methylidene]hex-4-enyl]piperidin-2-one?
The InChIKey is KZEDZQNHYJKKND-OFSYMQIBSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-5-11(10-14-2)8-9-15-12(16)6-4-7-13(15)17/h3,5,10,12,16H,2,4,6-9H2,1H3/b5-3-,11-10+.
What are the key properties of 6-hydroxy-1-[(Z,3Z)-3-[(methylideneamino)methylidene]hex-4-enyl]piperidin-2-one?
6-hydroxy-1-[(Z,3Z)-3-[(methylideneamino)methylidene]hex-4-enyl]piperidin-2-one has a molecular weight of 236.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-[(Z,3Z)-3-[(methylideneamino)methylidene]hex-4-enyl]piperidin-2-one is sourced from PubChem (CID 155198881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).