6-amino-6-methylnon-2-yn-5-one

C10H17NO — CID 116556951

IUPAC6-amino-6-methylnon-2-yn-5-one
SMILESCC#CCC(=O)C(C)(N)CCC
InChIInChI=1S/C10H17NO/c1-4-6-7-9(12)10(3,11)8-5-2/h5,7-8,11H2,1-3H3
InChIKeyIAJSEJWHPDCEQD-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.49
Rot. Bonds4

About 6-amino-6-methylnon-2-yn-5-one

6-amino-6-methylnon-2-yn-5-one (PubChem CID 116556951) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 6-amino-6-methylnon-2-yn-5-one.

Molecular Properties

Compound Name6-amino-6-methylnon-2-yn-5-one
PubChem CID116556951
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name6-amino-6-methylnon-2-yn-5-one
SMILESCC#CCC(=O)C(C)(N)CCC
InChIInChI=1S/C10H17NO/c1-4-6-7-9(12)10(3,11)8-5-2/h5,7-8,11H2,1-3H3
InChIKeyIAJSEJWHPDCEQD-UHFFFAOYSA-N
XLogP1.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-6-methylnon-2-yn-5-one?
The IUPAC name of 6-amino-6-methylnon-2-yn-5-one (CID 116556951) is 6-amino-6-methylnon-2-yn-5-one.
What is the SMILES notation for 6-amino-6-methylnon-2-yn-5-one?
The canonical SMILES for 6-amino-6-methylnon-2-yn-5-one is CC#CCC(=O)C(C)(N)CCC.
What is the InChIKey of 6-amino-6-methylnon-2-yn-5-one?
The InChIKey is IAJSEJWHPDCEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-6-7-9(12)10(3,11)8-5-2/h5,7-8,11H2,1-3H3.
What are the key properties of 6-amino-6-methylnon-2-yn-5-one?
6-amino-6-methylnon-2-yn-5-one has a molecular weight of 167.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-methylnon-2-yn-5-one is sourced from PubChem (CID 116556951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).