4-methyl-3-[(2E,6Z)-nona-2,6-dienyl]-3-azabicyclo[3.1.0]hexan-2-one

C15H23NO — CID 70997529

IUPAC4-methyl-3-[(2E,6Z)-nona-2,6-dienyl]-3-azabicyclo[3.1.0]hexan-2-one
SMILESCC/C=C\CC/C=C/CN1C(=O)C2CC2C1C
InChIInChI=1S/C15H23NO/c1-3-4-5-6-7-8-9-10-16-12(2)13-11-14(13)15(16)17/h4-5,8-9,12-14H,3,6-7,10-11H2,1-2H3/b5-4-,9-8+
InChIKeyLYXUYBZOQPUIHQ-FTGFODROSA-N
MW233.35 g/mol
LogP3.16
Rot. Bonds6

About 4-methyl-3-[(2E,6Z)-nona-2,6-dienyl]-3-azabicyclo[3.1.0]hexan-2-one

4-methyl-3-[(2E,6Z)-nona-2,6-dienyl]-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 70997529) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-methyl-3-[(2E,6Z)-nona-2,6-dienyl]-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name4-methyl-3-[(2E,6Z)-nona-2,6-dienyl]-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID70997529
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-methyl-3-[(2E,6Z)-nona-2,6-dienyl]-3-azabicyclo[3.1.0]hexan-2-one
SMILESCC/C=C\CC/C=C/CN1C(=O)C2CC2C1C
InChIInChI=1S/C15H23NO/c1-3-4-5-6-7-8-9-10-16-12(2)13-11-14(13)15(16)17/h4-5,8-9,12-14H,3,6-7,10-11H2,1-2H3/b5-4-,9-8+
InChIKeyLYXUYBZOQPUIHQ-FTGFODROSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-3-[(2E,6Z)-nona-2,6-dienyl]-3-azabicyclo[3.1.0]hexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2E,6Z)-nona-2,6-dienyl]-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 4-methyl-3-[(2E,6Z)-nona-2,6-dienyl]-3-azabicyclo[3.1.0]hexan-2-one (CID 70997529) is 4-methyl-3-[(2E,6Z)-nona-2,6-dienyl]-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 4-methyl-3-[(2E,6Z)-nona-2,6-dienyl]-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 4-methyl-3-[(2E,6Z)-nona-2,6-dienyl]-3-azabicyclo[3.1.0]hexan-2-one is CC/C=C\CC/C=C/CN1C(=O)C2CC2C1C.
What is the InChIKey of 4-methyl-3-[(2E,6Z)-nona-2,6-dienyl]-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is LYXUYBZOQPUIHQ-FTGFODROSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-4-5-6-7-8-9-10-16-12(2)13-11-14(13)15(16)17/h4-5,8-9,12-14H,3,6-7,10-11H2,1-2H3/b5-4-,9-8+.
What are the key properties of 4-methyl-3-[(2E,6Z)-nona-2,6-dienyl]-3-azabicyclo[3.1.0]hexan-2-one?
4-methyl-3-[(2E,6Z)-nona-2,6-dienyl]-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 233.35 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2E,6Z)-nona-2,6-dienyl]-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 70997529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).