1-imino-2-methylnonan-3-one

C10H19NO — CID 123586510

IUPAC1-imino-2-methylnonan-3-one
SMILES[H]/N=C/C(C)C(=O)CCCCCC
InChIInChI=1S/C10H19NO/c1-3-4-5-6-7-10(12)9(2)8-11/h8-9,11H,3-7H2,1-2H3/b11-8+
InChIKeyWSFXWZIYARXULE-DHZHZOJOSA-N
MW169.27 g/mol
LogP2.81
Rot. Bonds7

About 1-imino-2-methylnonan-3-one

1-imino-2-methylnonan-3-one (PubChem CID 123586510) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-imino-2-methylnonan-3-one.

Molecular Properties

Compound Name1-imino-2-methylnonan-3-one
PubChem CID123586510
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-imino-2-methylnonan-3-one
SMILES[H]/N=C/C(C)C(=O)CCCCCC
InChIInChI=1S/C10H19NO/c1-3-4-5-6-7-10(12)9(2)8-11/h8-9,11H,3-7H2,1-2H3/b11-8+
InChIKeyWSFXWZIYARXULE-DHZHZOJOSA-N
XLogP2.81
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.81
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'}

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Related Compounds

3-methylhexadec-1-en-4-one
CID 15633952
25-methylnonatetracontane-24,26-dione
CID 173069947
2-methylhexadecan-3-one
CID 58030381
[(2R)-3-oxooctadecan-2-yl]azanium chloride
CID 158532608
2-hydroxyicosan-3-one
CID 57023276
2-methyl-3-oxoheptanal
CID 89327816
2-chloroheptadecan-3-one
CID 88651520
(3S)-2,3-dimethylnonadecan-4-one
CID 174010260
sodium;hydride;2-hydroxytetradecan-3-one
CID 173221768
N-[(2S)-3-oxododecan-2-yl]nonanamide
CID 160686948
9-silylheptadecane-8,10-dione
CID 175052946
2-octanoylhexadecanoic acid
CID 159011592

Frequently Asked Questions

What is the IUPAC name of 1-imino-2-methylnonan-3-one?
The IUPAC name of 1-imino-2-methylnonan-3-one (CID 123586510) is 1-imino-2-methylnonan-3-one.
What is the SMILES notation for 1-imino-2-methylnonan-3-one?
The canonical SMILES for 1-imino-2-methylnonan-3-one is [H]/N=C/C(C)C(=O)CCCCCC.
What is the InChIKey of 1-imino-2-methylnonan-3-one?
The InChIKey is WSFXWZIYARXULE-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-5-6-7-10(12)9(2)8-11/h8-9,11H,3-7H2,1-2H3/b11-8+.
What are the key properties of 1-imino-2-methylnonan-3-one?
1-imino-2-methylnonan-3-one has a molecular weight of 169.27 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-2-methylnonan-3-one is sourced from PubChem (CID 123586510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).