1-hydroxy-9-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxynonan-2-one

C24H29NO3 — CID 58388715

IUPAC1-hydroxy-9-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxynonan-2-one
SMILESO=C(CO)CCCCCCCON=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C24H29NO3/c26-18-21(27)12-4-2-1-3-9-17-28-25-24-22-13-7-5-10-19(22)15-16-20-11-6-8-14-23(20)24/h5-8,10-11,13-14,26H,1-4,9,12,15-18H2
InChIKeyVXCBYBKJFLDKKT-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.46
Rot. Bonds10

About 1-hydroxy-9-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxynonan-2-one

1-hydroxy-9-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxynonan-2-one (PubChem CID 58388715) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-hydroxy-9-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxynonan-2-one.

Molecular Properties

Compound Name1-hydroxy-9-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxynonan-2-one
PubChem CID58388715
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name1-hydroxy-9-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxynonan-2-one
SMILESO=C(CO)CCCCCCCON=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C24H29NO3/c26-18-21(27)12-4-2-1-3-9-17-28-25-24-22-13-7-5-10-19(22)15-16-20-11-6-8-14-23(20)24/h5-8,10-11,13-14,26H,1-4,9,12,15-18H2
InChIKeyVXCBYBKJFLDKKT-UHFFFAOYSA-N
XLogP4.46
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-hydroxy-9-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxynonan-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 1-hydroxy-9-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxynonan-2-one?
The IUPAC name of 1-hydroxy-9-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxynonan-2-one (CID 58388715) is 1-hydroxy-9-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxynonan-2-one.
What is the SMILES notation for 1-hydroxy-9-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxynonan-2-one?
The canonical SMILES for 1-hydroxy-9-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxynonan-2-one is O=C(CO)CCCCCCCON=C1c2ccccc2CCc2ccccc21.
What is the InChIKey of 1-hydroxy-9-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxynonan-2-one?
The InChIKey is VXCBYBKJFLDKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c26-18-21(27)12-4-2-1-3-9-17-28-25-24-22-13-7-5-10-19(22)15-16-20-11-6-8-14-23(20)24/h5-8,10-11,13-14,26H,1-4,9,12,15-18H2.
What are the key properties of 1-hydroxy-9-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxynonan-2-one?
1-hydroxy-9-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxynonan-2-one has a molecular weight of 379.50 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-9-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxynonan-2-one is sourced from PubChem (CID 58388715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).