(E)-4-[(Z)-but-1-enyl]iminohept-5-en-3-one

C11H17NO — CID 89298368

IUPAC(E)-4-[(Z)-but-1-enyl]iminohept-5-en-3-one
SMILESC/C=C/C(=N/C=C\CC)C(=O)CC
InChIInChI=1S/C11H17NO/c1-4-7-9-12-10(8-5-2)11(13)6-3/h5,7-9H,4,6H2,1-3H3/b8-5+,9-7-,12-10-
InChIKeyQOUCYVKYQNAVFL-JIPWEXODSA-N
MW179.26 g/mol
LogP2.91
Rot. Bonds5

About (E)-4-[(Z)-but-1-enyl]iminohept-5-en-3-one

(E)-4-[(Z)-but-1-enyl]iminohept-5-en-3-one (PubChem CID 89298368) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (E)-4-[(Z)-but-1-enyl]iminohept-5-en-3-one.

Molecular Properties

Compound Name(E)-4-[(Z)-but-1-enyl]iminohept-5-en-3-one
PubChem CID89298368
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(E)-4-[(Z)-but-1-enyl]iminohept-5-en-3-one
SMILESC/C=C/C(=N/C=C\CC)C(=O)CC
InChIInChI=1S/C11H17NO/c1-4-7-9-12-10(8-5-2)11(13)6-3/h5,7-9H,4,6H2,1-3H3/b8-5+,9-7-,12-10-
InChIKeyQOUCYVKYQNAVFL-JIPWEXODSA-N
XLogP2.91
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[(Z)-but-1-enyl]iminohept-5-en-3-one?
The IUPAC name of (E)-4-[(Z)-but-1-enyl]iminohept-5-en-3-one (CID 89298368) is (E)-4-[(Z)-but-1-enyl]iminohept-5-en-3-one.
What is the SMILES notation for (E)-4-[(Z)-but-1-enyl]iminohept-5-en-3-one?
The canonical SMILES for (E)-4-[(Z)-but-1-enyl]iminohept-5-en-3-one is C/C=C/C(=N/C=C\CC)C(=O)CC.
What is the InChIKey of (E)-4-[(Z)-but-1-enyl]iminohept-5-en-3-one?
The InChIKey is QOUCYVKYQNAVFL-JIPWEXODSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-7-9-12-10(8-5-2)11(13)6-3/h5,7-9H,4,6H2,1-3H3/b8-5+,9-7-,12-10-.
What are the key properties of (E)-4-[(Z)-but-1-enyl]iminohept-5-en-3-one?
(E)-4-[(Z)-but-1-enyl]iminohept-5-en-3-one has a molecular weight of 179.26 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(Z)-but-1-enyl]iminohept-5-en-3-one is sourced from PubChem (CID 89298368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).