9-imino-2-methylnon-1-en-3-one

C10H17NO — CID 139841217

IUPAC9-imino-2-methylnon-1-en-3-one
SMILES[H]/N=C/CCCCCC(=O)C(=C)C
InChIInChI=1S/C10H17NO/c1-9(2)10(12)7-5-3-4-6-8-11/h8,11H,1,3-7H2,2H3/b11-8+
InChIKeyWVPHLKXXDCHLSB-DHZHZOJOSA-N
MW167.25 g/mol
LogP2.73
Rot. Bonds7

About 9-imino-2-methylnon-1-en-3-one

9-imino-2-methylnon-1-en-3-one (PubChem CID 139841217) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 9-imino-2-methylnon-1-en-3-one.

Molecular Properties

Compound Name9-imino-2-methylnon-1-en-3-one
PubChem CID139841217
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name9-imino-2-methylnon-1-en-3-one
SMILES[H]/N=C/CCCCCC(=O)C(=C)C
InChIInChI=1S/C10H17NO/c1-9(2)10(12)7-5-3-4-6-8-11/h8,11H,1,3-7H2,2H3/b11-8+
InChIKeyWVPHLKXXDCHLSB-DHZHZOJOSA-N
XLogP2.73
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 ≤ 52.73
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,20,23-Triimino-19-methylidenetricosan-3-one
CID 134334133
9-Iminonon-1-en-3-one
CID 140378876
10-Imino-2-methyldec-1-en-3-one
CID 144369935
(4R,7S)-9-imino-4,7-dimethyl-5-methylidenenon-1-ene-3,6-dione
CID 146251028
1-Imino-5-methylideneheptane-2,6-dione
CID 154953912
8-Imino-2-methyloct-1-en-3-one
CID 154959298
10-Imino-2-methylundec-1-ene-3,8-dione
CID 155055760
9-Imino-2-methyldec-1-en-3-one
CID 158349859

Frequently Asked Questions

What is the IUPAC name of 9-imino-2-methylnon-1-en-3-one?
The IUPAC name of 9-imino-2-methylnon-1-en-3-one (CID 139841217) is 9-imino-2-methylnon-1-en-3-one.
What is the SMILES notation for 9-imino-2-methylnon-1-en-3-one?
The canonical SMILES for 9-imino-2-methylnon-1-en-3-one is [H]/N=C/CCCCCC(=O)C(=C)C.
What is the InChIKey of 9-imino-2-methylnon-1-en-3-one?
The InChIKey is WVPHLKXXDCHLSB-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(2)10(12)7-5-3-4-6-8-11/h8,11H,1,3-7H2,2H3/b11-8+.
What are the key properties of 9-imino-2-methylnon-1-en-3-one?
9-imino-2-methylnon-1-en-3-one has a molecular weight of 167.25 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-imino-2-methylnon-1-en-3-one is sourced from PubChem (CID 139841217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).