(E)-5,7,7,9-tetramethyl-9-[[(E)-2-oxopent-3-enyl]amino]dec-2-en-4-one

C19H33NO2 — CID 123687819

IUPAC(E)-5,7,7,9-tetramethyl-9-[[(E)-2-oxopent-3-enyl]amino]dec-2-en-4-one
SMILESC/C=C/C(=O)CNC(C)(C)CC(C)(C)CC(C)C(=O)/C=C/C
InChIInChI=1S/C19H33NO2/c1-8-10-16(21)13-20-19(6,7)14-18(4,5)12-15(3)17(22)11-9-2/h8-11,15,20H,12-14H2,1-7H3/b10-8+,11-9+
InChIKeyNXPBTHDAYWKQMZ-GFULKKFKSA-N
MW307.48 g/mol
LogP4.09
Rot. Bonds10

About (E)-5,7,7,9-tetramethyl-9-[[(E)-2-oxopent-3-enyl]amino]dec-2-en-4-one

(E)-5,7,7,9-tetramethyl-9-[[(E)-2-oxopent-3-enyl]amino]dec-2-en-4-one (PubChem CID 123687819) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is (E)-5,7,7,9-tetramethyl-9-[[(E)-2-oxopent-3-enyl]amino]dec-2-en-4-one.

Molecular Properties

Compound Name(E)-5,7,7,9-tetramethyl-9-[[(E)-2-oxopent-3-enyl]amino]dec-2-en-4-one
PubChem CID123687819
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name(E)-5,7,7,9-tetramethyl-9-[[(E)-2-oxopent-3-enyl]amino]dec-2-en-4-one
SMILESC/C=C/C(=O)CNC(C)(C)CC(C)(C)CC(C)C(=O)/C=C/C
InChIInChI=1S/C19H33NO2/c1-8-10-16(21)13-20-19(6,7)14-18(4,5)12-15(3)17(22)11-9-2/h8-11,15,20H,12-14H2,1-7H3/b10-8+,11-9+
InChIKeyNXPBTHDAYWKQMZ-GFULKKFKSA-N
XLogP4.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-5,7,7,9-tetramethyl-9-[[(E)-2-oxopent-3-enyl]amino]dec-2-en-4-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (E)-5,7,7,9-tetramethyl-9-[[(E)-2-oxopent-3-enyl]amino]dec-2-en-4-one?
The IUPAC name of (E)-5,7,7,9-tetramethyl-9-[[(E)-2-oxopent-3-enyl]amino]dec-2-en-4-one (CID 123687819) is (E)-5,7,7,9-tetramethyl-9-[[(E)-2-oxopent-3-enyl]amino]dec-2-en-4-one.
What is the SMILES notation for (E)-5,7,7,9-tetramethyl-9-[[(E)-2-oxopent-3-enyl]amino]dec-2-en-4-one?
The canonical SMILES for (E)-5,7,7,9-tetramethyl-9-[[(E)-2-oxopent-3-enyl]amino]dec-2-en-4-one is C/C=C/C(=O)CNC(C)(C)CC(C)(C)CC(C)C(=O)/C=C/C.
What is the InChIKey of (E)-5,7,7,9-tetramethyl-9-[[(E)-2-oxopent-3-enyl]amino]dec-2-en-4-one?
The InChIKey is NXPBTHDAYWKQMZ-GFULKKFKSA-N. The full InChI is InChI=1S/C19H33NO2/c1-8-10-16(21)13-20-19(6,7)14-18(4,5)12-15(3)17(22)11-9-2/h8-11,15,20H,12-14H2,1-7H3/b10-8+,11-9+.
What are the key properties of (E)-5,7,7,9-tetramethyl-9-[[(E)-2-oxopent-3-enyl]amino]dec-2-en-4-one?
(E)-5,7,7,9-tetramethyl-9-[[(E)-2-oxopent-3-enyl]amino]dec-2-en-4-one has a molecular weight of 307.48 g/mol, XLogP of 4.09, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,7,7,9-tetramethyl-9-[[(E)-2-oxopent-3-enyl]amino]dec-2-en-4-one is sourced from PubChem (CID 123687819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).