(Z)-1-(benzylamino)dec-1-ene-3,6-dione

C17H23NO2 — CID 132518019

IUPAC(Z)-1-(benzylamino)dec-1-ene-3,6-dione
SMILESCCCCC(=O)CCC(=O)/C=C\NCc1ccccc1
InChIInChI=1S/C17H23NO2/c1-2-3-9-16(19)10-11-17(20)12-13-18-14-15-7-5-4-6-8-15/h4-8,12-13,18H,2-3,9-11,14H2,1H3/b13-12-
InChIKeyWKGOEWGXONTDMP-SEYXRHQNSA-N
MW273.38 g/mol
LogP3.40
Rot. Bonds10

About (Z)-1-(benzylamino)dec-1-ene-3,6-dione

(Z)-1-(benzylamino)dec-1-ene-3,6-dione (PubChem CID 132518019) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (Z)-1-(benzylamino)dec-1-ene-3,6-dione.

Molecular Properties

Compound Name(Z)-1-(benzylamino)dec-1-ene-3,6-dione
PubChem CID132518019
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(Z)-1-(benzylamino)dec-1-ene-3,6-dione
SMILESCCCCC(=O)CCC(=O)/C=C\NCc1ccccc1
InChIInChI=1S/C17H23NO2/c1-2-3-9-16(19)10-11-17(20)12-13-18-14-15-7-5-4-6-8-15/h4-8,12-13,18H,2-3,9-11,14H2,1H3/b13-12-
InChIKeyWKGOEWGXONTDMP-SEYXRHQNSA-N
XLogP3.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.40
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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Related Compounds

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1-phenylheptadecan-2-one
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1-phenylundec-1-en-3-one
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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(benzylamino)dec-1-ene-3,6-dione?
The IUPAC name of (Z)-1-(benzylamino)dec-1-ene-3,6-dione (CID 132518019) is (Z)-1-(benzylamino)dec-1-ene-3,6-dione.
What is the SMILES notation for (Z)-1-(benzylamino)dec-1-ene-3,6-dione?
The canonical SMILES for (Z)-1-(benzylamino)dec-1-ene-3,6-dione is CCCCC(=O)CCC(=O)/C=C\NCc1ccccc1.
What is the InChIKey of (Z)-1-(benzylamino)dec-1-ene-3,6-dione?
The InChIKey is WKGOEWGXONTDMP-SEYXRHQNSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-3-9-16(19)10-11-17(20)12-13-18-14-15-7-5-4-6-8-15/h4-8,12-13,18H,2-3,9-11,14H2,1H3/b13-12-.
What are the key properties of (Z)-1-(benzylamino)dec-1-ene-3,6-dione?
(Z)-1-(benzylamino)dec-1-ene-3,6-dione has a molecular weight of 273.38 g/mol, XLogP of 3.40, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(benzylamino)dec-1-ene-3,6-dione is sourced from PubChem (CID 132518019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).