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

C9H13NO — CID 145486862

IUPAC(3Z,5Z)-5-methyl-1,2,7,8-tetrahydroazonin-9-one
SMILESCC1=C/CCC(=O)NC/C=C\1
InChIInChI=1S/C9H13NO/c1-8-4-2-6-9(11)10-7-3-5-8/h3-5H,2,6-7H2,1H3,(H,10,11)/b5-3-,8-4-
InChIKeyBLLKAYBNYONMDW-ZWWVTPAXSA-N
MW151.21 g/mol
LogP1.40
Rot. Bonds

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

(3Z,5Z)-5-methyl-1,2,7,8-tetrahydroazonin-9-one (PubChem CID 145486862) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (3Z,5Z)-5-methyl-1,2,7,8-tetrahydroazonin-9-one.

Molecular Properties

Compound Name(3Z,5Z)-5-methyl-1,2,7,8-tetrahydroazonin-9-one
PubChem CID145486862
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(3Z,5Z)-5-methyl-1,2,7,8-tetrahydroazonin-9-one
SMILESCC1=C/CCC(=O)NC/C=C\1
InChIInChI=1S/C9H13NO/c1-8-4-2-6-9(11)10-7-3-5-8/h3-5H,2,6-7H2,1H3,(H,10,11)/b5-3-,8-4-
InChIKeyBLLKAYBNYONMDW-ZWWVTPAXSA-N
XLogP1.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-methyl-1,2,7,8-tetrahydroazonin-9-one?
The IUPAC name of (3Z,5Z)-5-methyl-1,2,7,8-tetrahydroazonin-9-one (CID 145486862) is (3Z,5Z)-5-methyl-1,2,7,8-tetrahydroazonin-9-one.
What is the SMILES notation for (3Z,5Z)-5-methyl-1,2,7,8-tetrahydroazonin-9-one?
The canonical SMILES for (3Z,5Z)-5-methyl-1,2,7,8-tetrahydroazonin-9-one is CC1=C/CCC(=O)NC/C=C\1.
What is the InChIKey of (3Z,5Z)-5-methyl-1,2,7,8-tetrahydroazonin-9-one?
The InChIKey is BLLKAYBNYONMDW-ZWWVTPAXSA-N. The full InChI is InChI=1S/C9H13NO/c1-8-4-2-6-9(11)10-7-3-5-8/h3-5H,2,6-7H2,1H3,(H,10,11)/b5-3-,8-4-.
What are the key properties of (3Z,5Z)-5-methyl-1,2,7,8-tetrahydroazonin-9-one?
(3Z,5Z)-5-methyl-1,2,7,8-tetrahydroazonin-9-one has a molecular weight of 151.21 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-methyl-1,2,7,8-tetrahydroazonin-9-one is sourced from PubChem (CID 145486862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).