(1Z)-1-(4,4,6-trimethyl-1,3-oxazinan-2-ylidene)pentan-2-one

C12H21NO2 — CID 121001587

IUPAC(1Z)-1-(4,4,6-trimethyl-1,3-oxazinan-2-ylidene)pentan-2-one
SMILESCCCC(=O)/C=C1/NC(C)(C)CC(C)O1
InChIInChI=1S/C12H21NO2/c1-5-6-10(14)7-11-13-12(3,4)8-9(2)15-11/h7,9,13H,5-6,8H2,1-4H3/b11-7-
InChIKeyWMXFYTLYMYVKHA-XFFZJAGNSA-N
MW211.30 g/mol
LogP2.37
Rot. Bonds3

About (1Z)-1-(4,4,6-trimethyl-1,3-oxazinan-2-ylidene)pentan-2-one

(1Z)-1-(4,4,6-trimethyl-1,3-oxazinan-2-ylidene)pentan-2-one (PubChem CID 121001587) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (1Z)-1-(4,4,6-trimethyl-1,3-oxazinan-2-ylidene)pentan-2-one.

Molecular Properties

Compound Name(1Z)-1-(4,4,6-trimethyl-1,3-oxazinan-2-ylidene)pentan-2-one
PubChem CID121001587
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(1Z)-1-(4,4,6-trimethyl-1,3-oxazinan-2-ylidene)pentan-2-one
SMILESCCCC(=O)/C=C1/NC(C)(C)CC(C)O1
InChIInChI=1S/C12H21NO2/c1-5-6-10(14)7-11-13-12(3,4)8-9(2)15-11/h7,9,13H,5-6,8H2,1-4H3/b11-7-
InChIKeyWMXFYTLYMYVKHA-XFFZJAGNSA-N
XLogP2.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
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 (1Z)-1-(4,4,6-trimethyl-1,3-oxazinan-2-ylidene)pentan-2-one?
The IUPAC name of (1Z)-1-(4,4,6-trimethyl-1,3-oxazinan-2-ylidene)pentan-2-one (CID 121001587) is (1Z)-1-(4,4,6-trimethyl-1,3-oxazinan-2-ylidene)pentan-2-one.
What is the SMILES notation for (1Z)-1-(4,4,6-trimethyl-1,3-oxazinan-2-ylidene)pentan-2-one?
The canonical SMILES for (1Z)-1-(4,4,6-trimethyl-1,3-oxazinan-2-ylidene)pentan-2-one is CCCC(=O)/C=C1/NC(C)(C)CC(C)O1.
What is the InChIKey of (1Z)-1-(4,4,6-trimethyl-1,3-oxazinan-2-ylidene)pentan-2-one?
The InChIKey is WMXFYTLYMYVKHA-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H21NO2/c1-5-6-10(14)7-11-13-12(3,4)8-9(2)15-11/h7,9,13H,5-6,8H2,1-4H3/b11-7-.
What are the key properties of (1Z)-1-(4,4,6-trimethyl-1,3-oxazinan-2-ylidene)pentan-2-one?
(1Z)-1-(4,4,6-trimethyl-1,3-oxazinan-2-ylidene)pentan-2-one has a molecular weight of 211.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(4,4,6-trimethyl-1,3-oxazinan-2-ylidene)pentan-2-one is sourced from PubChem (CID 121001587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).