(Z)-1-[[(Z)-3-oxohex-1-enyl]amino]hex-1-en-3-one

C12H19NO2 — CID 131852545

IUPAC(Z)-1-[[(Z)-3-oxohex-1-enyl]amino]hex-1-en-3-one
SMILESCCCC(=O)/C=C\N/C=C\C(=O)CCC
InChIInChI=1S/C12H19NO2/c1-3-5-11(14)7-9-13-10-8-12(15)6-4-2/h7-10,13H,3-6H2,1-2H3/b9-7-,10-8-
InChIKeyPQALHVPRYJWAHR-XOHWUJONSA-N
MW209.29 g/mol
LogP2.34
Rot. Bonds8

About (Z)-1-[[(Z)-3-oxohex-1-enyl]amino]hex-1-en-3-one

(Z)-1-[[(Z)-3-oxohex-1-enyl]amino]hex-1-en-3-one (PubChem CID 131852545) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (Z)-1-[[(Z)-3-oxohex-1-enyl]amino]hex-1-en-3-one.

Molecular Properties

Compound Name(Z)-1-[[(Z)-3-oxohex-1-enyl]amino]hex-1-en-3-one
PubChem CID131852545
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(Z)-1-[[(Z)-3-oxohex-1-enyl]amino]hex-1-en-3-one
SMILESCCCC(=O)/C=C\N/C=C\C(=O)CCC
InChIInChI=1S/C12H19NO2/c1-3-5-11(14)7-9-13-10-8-12(15)6-4-2/h7-10,13H,3-6H2,1-2H3/b9-7-,10-8-
InChIKeyPQALHVPRYJWAHR-XOHWUJONSA-N
XLogP2.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.34
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

(Z)-1-[(Z)-3-oxohex-1-enyl]sulfanylhex-1-en-3-one
CID 92858248
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CID 10997282
ethyl 4-oxohept-2-enoate
CID 71425644
(5E,7E,9E)-10-chlorodeca-5,7,9-trien-4-one
CID 15455933
(2Z,4E)-2-hydroxy-6-oxonona-2,4-dienoic acid
CID 20839721
methyl 10,15-dioxooctadeca-11,13-dienoate
CID 71343776
(E)-7-hydroxy-8,8-dimethylnon-5-en-4-one
CID 24977919
1-hydroxyiminopentan-2-one
CID 6410471
(E)-1-cyclohexylhex-1-en-3-one
CID 14869895
trideca-5,8-dien-4-one
CID 172853119
dipotassium;(Z)-5-oxido-3-oxooct-4-enoate
CID 102152925
CID 158609547
CID 158609547

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[[(Z)-3-oxohex-1-enyl]amino]hex-1-en-3-one?
The IUPAC name of (Z)-1-[[(Z)-3-oxohex-1-enyl]amino]hex-1-en-3-one (CID 131852545) is (Z)-1-[[(Z)-3-oxohex-1-enyl]amino]hex-1-en-3-one.
What is the SMILES notation for (Z)-1-[[(Z)-3-oxohex-1-enyl]amino]hex-1-en-3-one?
The canonical SMILES for (Z)-1-[[(Z)-3-oxohex-1-enyl]amino]hex-1-en-3-one is CCCC(=O)/C=C\N/C=C\C(=O)CCC.
What is the InChIKey of (Z)-1-[[(Z)-3-oxohex-1-enyl]amino]hex-1-en-3-one?
The InChIKey is PQALHVPRYJWAHR-XOHWUJONSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-5-11(14)7-9-13-10-8-12(15)6-4-2/h7-10,13H,3-6H2,1-2H3/b9-7-,10-8-.
What are the key properties of (Z)-1-[[(Z)-3-oxohex-1-enyl]amino]hex-1-en-3-one?
(Z)-1-[[(Z)-3-oxohex-1-enyl]amino]hex-1-en-3-one has a molecular weight of 209.29 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[[(Z)-3-oxohex-1-enyl]amino]hex-1-en-3-one is sourced from PubChem (CID 131852545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).