(Z)-6-imino-2,3,4-trimethyl-1-morpholin-4-yloct-3-en-1-one

C15H26N2O2 — CID 123208868

IUPAC(Z)-6-imino-2,3,4-trimethyl-1-morpholin-4-yloct-3-en-1-one
SMILES[H]/N=C(\CC)C/C(C)=C(/C)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C15H26N2O2/c1-5-14(16)10-11(2)12(3)13(4)15(18)17-6-8-19-9-7-17/h13,16H,5-10H2,1-4H3/b12-11-,16-14+
InChIKeyMNAJDUCSMQDAHE-KRXHNOJBSA-N
MW266.38 g/mol
LogP2.64
Rot. Bonds5

About (Z)-6-imino-2,3,4-trimethyl-1-morpholin-4-yloct-3-en-1-one

(Z)-6-imino-2,3,4-trimethyl-1-morpholin-4-yloct-3-en-1-one (PubChem CID 123208868) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (Z)-6-imino-2,3,4-trimethyl-1-morpholin-4-yloct-3-en-1-one.

Molecular Properties

Compound Name(Z)-6-imino-2,3,4-trimethyl-1-morpholin-4-yloct-3-en-1-one
PubChem CID123208868
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(Z)-6-imino-2,3,4-trimethyl-1-morpholin-4-yloct-3-en-1-one
SMILES[H]/N=C(\CC)C/C(C)=C(/C)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C15H26N2O2/c1-5-14(16)10-11(2)12(3)13(4)15(18)17-6-8-19-9-7-17/h13,16H,5-10H2,1-4H3/b12-11-,16-14+
InChIKeyMNAJDUCSMQDAHE-KRXHNOJBSA-N
XLogP2.64
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-imino-2,3,4-trimethyl-1-morpholin-4-yloct-3-en-1-one?
The IUPAC name of (Z)-6-imino-2,3,4-trimethyl-1-morpholin-4-yloct-3-en-1-one (CID 123208868) is (Z)-6-imino-2,3,4-trimethyl-1-morpholin-4-yloct-3-en-1-one.
What is the SMILES notation for (Z)-6-imino-2,3,4-trimethyl-1-morpholin-4-yloct-3-en-1-one?
The canonical SMILES for (Z)-6-imino-2,3,4-trimethyl-1-morpholin-4-yloct-3-en-1-one is [H]/N=C(\CC)C/C(C)=C(/C)C(C)C(=O)N1CCOCC1.
What is the InChIKey of (Z)-6-imino-2,3,4-trimethyl-1-morpholin-4-yloct-3-en-1-one?
The InChIKey is MNAJDUCSMQDAHE-KRXHNOJBSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-14(16)10-11(2)12(3)13(4)15(18)17-6-8-19-9-7-17/h13,16H,5-10H2,1-4H3/b12-11-,16-14+.
What are the key properties of (Z)-6-imino-2,3,4-trimethyl-1-morpholin-4-yloct-3-en-1-one?
(Z)-6-imino-2,3,4-trimethyl-1-morpholin-4-yloct-3-en-1-one has a molecular weight of 266.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-imino-2,3,4-trimethyl-1-morpholin-4-yloct-3-en-1-one is sourced from PubChem (CID 123208868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).