3-methanimidoylnon-8-en-2-one

C10H17NO — CID 123503961

IUPAC3-methanimidoylnon-8-en-2-one
SMILES[H]/N=C/C(CCCCC=C)C(C)=O
InChIInChI=1S/C10H17NO/c1-3-4-5-6-7-10(8-11)9(2)12/h3,8,10-11H,1,4-7H2,2H3/b11-8+
InChIKeyRNMMZSUPYJZLNI-DHZHZOJOSA-N
MW167.25 g/mol
LogP2.59
Rot. Bonds7

About 3-methanimidoylnon-8-en-2-one

3-methanimidoylnon-8-en-2-one (PubChem CID 123503961) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-methanimidoylnon-8-en-2-one.

Molecular Properties

Compound Name3-methanimidoylnon-8-en-2-one
PubChem CID123503961
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-methanimidoylnon-8-en-2-one
SMILES[H]/N=C/C(CCCCC=C)C(C)=O
InChIInChI=1S/C10H17NO/c1-3-4-5-6-7-10(8-11)9(2)12/h3,8,10-11H,1,4-7H2,2H3/b11-8+
InChIKeyRNMMZSUPYJZLNI-DHZHZOJOSA-N
XLogP2.59
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of 3-methanimidoylnon-8-en-2-one?
The IUPAC name of 3-methanimidoylnon-8-en-2-one (CID 123503961) is 3-methanimidoylnon-8-en-2-one.
What is the SMILES notation for 3-methanimidoylnon-8-en-2-one?
The canonical SMILES for 3-methanimidoylnon-8-en-2-one is [H]/N=C/C(CCCCC=C)C(C)=O.
What is the InChIKey of 3-methanimidoylnon-8-en-2-one?
The InChIKey is RNMMZSUPYJZLNI-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-5-6-7-10(8-11)9(2)12/h3,8,10-11H,1,4-7H2,2H3/b11-8+.
What are the key properties of 3-methanimidoylnon-8-en-2-one?
3-methanimidoylnon-8-en-2-one has a molecular weight of 167.25 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanimidoylnon-8-en-2-one is sourced from PubChem (CID 123503961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).