4-iminohex-5-en-2-one

C6H9NO — CID 123981827

IUPAC4-iminohex-5-en-2-one
SMILES[H]/N=C(\C=C)CC(C)=O
InChIInChI=1S/C6H9NO/c1-3-6(7)4-5(2)8/h3,7H,1,4H2,2H3/b7-6+
InChIKeyHHMWULJOANHIIV-VOTSOKGWSA-N
MW111.14 g/mol
LogP1.17
Rot. Bonds3

About 4-iminohex-5-en-2-one

4-iminohex-5-en-2-one (PubChem CID 123981827) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 4-iminohex-5-en-2-one.

Molecular Properties

Compound Name4-iminohex-5-en-2-one
PubChem CID123981827
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name4-iminohex-5-en-2-one
SMILES[H]/N=C(\C=C)CC(C)=O
InChIInChI=1S/C6H9NO/c1-3-6(7)4-5(2)8/h3,7H,1,4H2,2H3/b7-6+
InChIKeyHHMWULJOANHIIV-VOTSOKGWSA-N
XLogP1.17
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Malonyl-bis-ethyleneimine
CID 129818723
4-Diazohex-5-en-2-one
CID 91494801
2-Iminohept-6-en-3-one
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3-Iminopent-4-en-2-one
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4-Iminohex-5-en-3-one
CID 124031999
7-Iminooct-1-en-4-one
CID 138741480
4-Iminohex-1-en-3-one
CID 141220668
3-Imino-4-methylpent-4-en-2-one
CID 143907684
4-Iminopent-1-en-3-one
CID 144217503
Ethane;3-iminopent-4-en-2-one
CID 145294770
Ethene;3-iminopent-4-en-2-one
CID 156729474
6-Iminoocta-1,7-dien-3-one
CID 177738731

Frequently Asked Questions

What is the IUPAC name of 4-iminohex-5-en-2-one?
The IUPAC name of 4-iminohex-5-en-2-one (CID 123981827) is 4-iminohex-5-en-2-one.
What is the SMILES notation for 4-iminohex-5-en-2-one?
The canonical SMILES for 4-iminohex-5-en-2-one is [H]/N=C(\C=C)CC(C)=O.
What is the InChIKey of 4-iminohex-5-en-2-one?
The InChIKey is HHMWULJOANHIIV-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H9NO/c1-3-6(7)4-5(2)8/h3,7H,1,4H2,2H3/b7-6+.
What are the key properties of 4-iminohex-5-en-2-one?
4-iminohex-5-en-2-one has a molecular weight of 111.14 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminohex-5-en-2-one is sourced from PubChem (CID 123981827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).