(2E,6E)-9-methyl-4,5-dihydroazonin-8-one

C9H11NO — CID 142401863

IUPAC(2E,6E)-9-methyl-4,5-dihydroazonin-8-one
SMILESC/C1=N/C=C/CC/C=C/C1=O
InChIInChI=1S/C9H11NO/c1-8-9(11)6-4-2-3-5-7-10-8/h4-7H,2-3H2,1H3/b6-4+,7-5+,10-8-
InChIKeyHBAGLJATFMAWRI-MRUUKKCESA-N
MW149.19 g/mol
LogP1.88
Rot. Bonds

About (2E,6E)-9-methyl-4,5-dihydroazonin-8-one

(2E,6E)-9-methyl-4,5-dihydroazonin-8-one (PubChem CID 142401863) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is (2E,6E)-9-methyl-4,5-dihydroazonin-8-one.

Molecular Properties

Compound Name(2E,6E)-9-methyl-4,5-dihydroazonin-8-one
PubChem CID142401863
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name(2E,6E)-9-methyl-4,5-dihydroazonin-8-one
SMILESC/C1=N/C=C/CC/C=C/C1=O
InChIInChI=1S/C9H11NO/c1-8-9(11)6-4-2-3-5-7-10-8/h4-7H,2-3H2,1H3/b6-4+,7-5+,10-8-
InChIKeyHBAGLJATFMAWRI-MRUUKKCESA-N
XLogP1.88
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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ethane;6-methyl-2H-pyridin-5-one
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(3E,4Z,6Z)-6-(N-ethenyl-C-methylcarbonimidoyl)-3-ethylideneocta-4,6-dien-2-one
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(Z)-2-methyliminohept-4-en-3-one
CID 123385875
5-methyl-3-[(E)-pent-1-enyl]iminohex-4-en-2-one
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3-Ethenylimino-5-methylhex-4-en-2-one
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(4Z)-3-ethenyliminohepta-4,6-dien-2-one
CID 137469965
(3aZ,5Z,9Z,11Z)-7H-cycloundeca[b]pyrrol-8-one
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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-9-methyl-4,5-dihydroazonin-8-one?
The IUPAC name of (2E,6E)-9-methyl-4,5-dihydroazonin-8-one (CID 142401863) is (2E,6E)-9-methyl-4,5-dihydroazonin-8-one.
What is the SMILES notation for (2E,6E)-9-methyl-4,5-dihydroazonin-8-one?
The canonical SMILES for (2E,6E)-9-methyl-4,5-dihydroazonin-8-one is C/C1=N/C=C/CC/C=C/C1=O.
What is the InChIKey of (2E,6E)-9-methyl-4,5-dihydroazonin-8-one?
The InChIKey is HBAGLJATFMAWRI-MRUUKKCESA-N. The full InChI is InChI=1S/C9H11NO/c1-8-9(11)6-4-2-3-5-7-10-8/h4-7H,2-3H2,1H3/b6-4+,7-5+,10-8-.
What are the key properties of (2E,6E)-9-methyl-4,5-dihydroazonin-8-one?
(2E,6E)-9-methyl-4,5-dihydroazonin-8-one has a molecular weight of 149.19 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-9-methyl-4,5-dihydroazonin-8-one is sourced from PubChem (CID 142401863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).