4-iminonon-8-en-2-one

C9H15NO — CID 123816697

IUPAC4-iminonon-8-en-2-one
SMILES[H]/N=C(\CCCC=C)CC(C)=O
InChIInChI=1S/C9H15NO/c1-3-4-5-6-9(10)7-8(2)11/h3,10H,1,4-7H2,2H3/b10-9+
InChIKeyGLNIGJPERYIBCB-MDZDMXLPSA-N
MW153.22 g/mol
LogP2.34
Rot. Bonds6

About 4-iminonon-8-en-2-one

4-iminonon-8-en-2-one (PubChem CID 123816697) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-iminonon-8-en-2-one.

Molecular Properties

Compound Name4-iminonon-8-en-2-one
PubChem CID123816697
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-iminonon-8-en-2-one
SMILES[H]/N=C(\CCCC=C)CC(C)=O
InChIInChI=1S/C9H15NO/c1-3-4-5-6-9(10)7-8(2)11/h3,10H,1,4-7H2,2H3/b10-9+
InChIKeyGLNIGJPERYIBCB-MDZDMXLPSA-N
XLogP2.34
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-iminodec-7-en-2-one
CID 88953848
2-Iminohept-6-en-3-one
CID 123621862
4-Iminooct-7-en-2-one
CID 123949243
7-Iminooct-1-en-3-one
CID 129045735
7-Iminooct-1-en-4-one
CID 138741480
(8E)-16-iminocyclohexadec-8-en-1-one
CID 145054293
(8E)-2-iminocyclohexadec-8-en-1-one
CID 145054294
(7S)-12-imino-7-methyltridec-1-en-6-one
CID 147733929
7-Iminonona-1,8-dien-3-one
CID 154380491
3-Iminooct-7-ene-2,4-dione
CID 154953909
9-Imino-2-methyldec-1-en-3-one
CID 158349859
(Z)-2-imino-11,11-dimethyldodec-9-en-3-one
CID 163797859

Frequently Asked Questions

What is the IUPAC name of 4-iminonon-8-en-2-one?
The IUPAC name of 4-iminonon-8-en-2-one (CID 123816697) is 4-iminonon-8-en-2-one.
What is the SMILES notation for 4-iminonon-8-en-2-one?
The canonical SMILES for 4-iminonon-8-en-2-one is [H]/N=C(\CCCC=C)CC(C)=O.
What is the InChIKey of 4-iminonon-8-en-2-one?
The InChIKey is GLNIGJPERYIBCB-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-5-6-9(10)7-8(2)11/h3,10H,1,4-7H2,2H3/b10-9+.
What are the key properties of 4-iminonon-8-en-2-one?
4-iminonon-8-en-2-one has a molecular weight of 153.22 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminonon-8-en-2-one is sourced from PubChem (CID 123816697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).