(5Z)-2-methyl-1,2,3,4,7,8-hexahydroazonin-9-one

C9H15NO — CID 23322740

IUPAC(5Z)-2-methyl-1,2,3,4,7,8-hexahydroazonin-9-one
SMILESCC1CC/C=C\CCC(=O)N1
InChIInChI=1S/C9H15NO/c1-8-6-4-2-3-5-7-9(11)10-8/h2-3,8H,4-7H2,1H3,(H,10,11)/b3-2-
InChIKeyGUSAAWXVUUYJPE-IHWYPQMZSA-N
MW153.23 g/mol
LogP1.62
Rot. Bonds

About (5Z)-2-methyl-1,2,3,4,7,8-hexahydroazonin-9-one

(5Z)-2-methyl-1,2,3,4,7,8-hexahydroazonin-9-one (PubChem CID 23322740) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is (5Z)-2-methyl-1,2,3,4,7,8-hexahydroazonin-9-one.

Molecular Properties

Compound Name(5Z)-2-methyl-1,2,3,4,7,8-hexahydroazonin-9-one
PubChem CID23322740
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name(5Z)-2-methyl-1,2,3,4,7,8-hexahydroazonin-9-one
SMILESCC1CC/C=C\CCC(=O)N1
InChIInChI=1S/C9H15NO/c1-8-6-4-2-3-5-7-9(11)10-8/h2-3,8H,4-7H2,1H3,(H,10,11)/b3-2-
InChIKeyGUSAAWXVUUYJPE-IHWYPQMZSA-N
XLogP1.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-methyl-1,2,3,4,7,8-hexahydroazonin-9-one?
The IUPAC name of (5Z)-2-methyl-1,2,3,4,7,8-hexahydroazonin-9-one (CID 23322740) is (5Z)-2-methyl-1,2,3,4,7,8-hexahydroazonin-9-one.
What is the SMILES notation for (5Z)-2-methyl-1,2,3,4,7,8-hexahydroazonin-9-one?
The canonical SMILES for (5Z)-2-methyl-1,2,3,4,7,8-hexahydroazonin-9-one is CC1CC/C=C\CCC(=O)N1.
What is the InChIKey of (5Z)-2-methyl-1,2,3,4,7,8-hexahydroazonin-9-one?
The InChIKey is GUSAAWXVUUYJPE-IHWYPQMZSA-N. The full InChI is InChI=1S/C9H15NO/c1-8-6-4-2-3-5-7-9(11)10-8/h2-3,8H,4-7H2,1H3,(H,10,11)/b3-2-.
What are the key properties of (5Z)-2-methyl-1,2,3,4,7,8-hexahydroazonin-9-one?
(5Z)-2-methyl-1,2,3,4,7,8-hexahydroazonin-9-one has a molecular weight of 153.23 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-methyl-1,2,3,4,7,8-hexahydroazonin-9-one is sourced from PubChem (CID 23322740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).