3-[2-(dimethylamino)ethylimino]hex-4-en-2-one

C10H18N2O — CID 87305181

IUPAC3-[2-(dimethylamino)ethylimino]hex-4-en-2-one
SMILESCC=C/C(=N\CCN(C)C)C(C)=O
InChIInChI=1S/C10H18N2O/c1-5-6-10(9(2)13)11-7-8-12(3)4/h5-6H,7-8H2,1-4H3/b6-5?,11-10+
InChIKeyDXPKBDNZHYUTNQ-QOYAKGEJSA-N
MW182.27 g/mol
LogP1.15
Rot. Bonds5

About 3-[2-(dimethylamino)ethylimino]hex-4-en-2-one

3-[2-(dimethylamino)ethylimino]hex-4-en-2-one (PubChem CID 87305181) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylimino]hex-4-en-2-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylimino]hex-4-en-2-one
PubChem CID87305181
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-[2-(dimethylamino)ethylimino]hex-4-en-2-one
SMILESCC=C/C(=N\CCN(C)C)C(C)=O
InChIInChI=1S/C10H18N2O/c1-5-6-10(9(2)13)11-7-8-12(3)4/h5-6H,7-8H2,1-4H3/b6-5?,11-10+
InChIKeyDXPKBDNZHYUTNQ-QOYAKGEJSA-N
XLogP1.15
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-[2-(dimethylamino)ethylimino]hex-4-en-2-one?
The IUPAC name of 3-[2-(dimethylamino)ethylimino]hex-4-en-2-one (CID 87305181) is 3-[2-(dimethylamino)ethylimino]hex-4-en-2-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethylimino]hex-4-en-2-one?
The canonical SMILES for 3-[2-(dimethylamino)ethylimino]hex-4-en-2-one is CC=C/C(=N\CCN(C)C)C(C)=O.
What is the InChIKey of 3-[2-(dimethylamino)ethylimino]hex-4-en-2-one?
The InChIKey is DXPKBDNZHYUTNQ-QOYAKGEJSA-N. The full InChI is InChI=1S/C10H18N2O/c1-5-6-10(9(2)13)11-7-8-12(3)4/h5-6H,7-8H2,1-4H3/b6-5?,11-10+.
What are the key properties of 3-[2-(dimethylamino)ethylimino]hex-4-en-2-one?
3-[2-(dimethylamino)ethylimino]hex-4-en-2-one has a molecular weight of 182.27 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylimino]hex-4-en-2-one is sourced from PubChem (CID 87305181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).