(4E)-2-methyl-2-morpholin-4-yl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-one

C15H23NO2 — CID 88961030

IUPAC(4E)-2-methyl-2-morpholin-4-yl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-one
SMILESC=C/C=C(\C=C/C)C(=O)C(C)(C)N1CCOCC1
InChIInChI=1S/C15H23NO2/c1-5-7-13(8-6-2)14(17)15(3,4)16-9-11-18-12-10-16/h5-8H,1,9-12H2,2-4H3/b8-6-,13-7+
InChIKeyAUKXQQMAZASXTR-WNDPTYLVSA-N
MW249.35 g/mol
LogP2.35
Rot. Bonds5

About (4E)-2-methyl-2-morpholin-4-yl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-one

(4E)-2-methyl-2-morpholin-4-yl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-one (PubChem CID 88961030) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (4E)-2-methyl-2-morpholin-4-yl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-one.

Molecular Properties

Compound Name(4E)-2-methyl-2-morpholin-4-yl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-one
PubChem CID88961030
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(4E)-2-methyl-2-morpholin-4-yl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-one
SMILESC=C/C=C(\C=C/C)C(=O)C(C)(C)N1CCOCC1
InChIInChI=1S/C15H23NO2/c1-5-7-13(8-6-2)14(17)15(3,4)16-9-11-18-12-10-16/h5-8H,1,9-12H2,2-4H3/b8-6-,13-7+
InChIKeyAUKXQQMAZASXTR-WNDPTYLVSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-methyl-2-morpholin-4-yl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-one?
The IUPAC name of (4E)-2-methyl-2-morpholin-4-yl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-one (CID 88961030) is (4E)-2-methyl-2-morpholin-4-yl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-one.
What is the SMILES notation for (4E)-2-methyl-2-morpholin-4-yl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-one?
The canonical SMILES for (4E)-2-methyl-2-morpholin-4-yl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-one is C=C/C=C(\C=C/C)C(=O)C(C)(C)N1CCOCC1.
What is the InChIKey of (4E)-2-methyl-2-morpholin-4-yl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-one?
The InChIKey is AUKXQQMAZASXTR-WNDPTYLVSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-7-13(8-6-2)14(17)15(3,4)16-9-11-18-12-10-16/h5-8H,1,9-12H2,2-4H3/b8-6-,13-7+.
What are the key properties of (4E)-2-methyl-2-morpholin-4-yl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-one?
(4E)-2-methyl-2-morpholin-4-yl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-one has a molecular weight of 249.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-methyl-2-morpholin-4-yl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-one is sourced from PubChem (CID 88961030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).