2,9-dioxoazonane-1-carbaldehyde

C9H13NO3 — CID 154091966

IUPAC2,9-dioxoazonane-1-carbaldehyde
SMILESO=CN1C(=O)CCCCCCC1=O
InChIInChI=1S/C9H13NO3/c11-7-10-8(12)5-3-1-2-4-6-9(10)13/h7H,1-6H2
InChIKeySSHAJMDHPVBOHF-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.85
Rot. Bonds1

About 2,9-dioxoazonane-1-carbaldehyde

2,9-dioxoazonane-1-carbaldehyde (PubChem CID 154091966) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2,9-dioxoazonane-1-carbaldehyde.

Molecular Properties

Compound Name2,9-dioxoazonane-1-carbaldehyde
PubChem CID154091966
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2,9-dioxoazonane-1-carbaldehyde
SMILESO=CN1C(=O)CCCCCCC1=O
InChIInChI=1S/C9H13NO3/c11-7-10-8(12)5-3-1-2-4-6-9(10)13/h7H,1-6H2
InChIKeySSHAJMDHPVBOHF-UHFFFAOYSA-N
XLogP0.85
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,9-dioxoazonane-1-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

1-[methyl-bis(2-oxoazepan-1-yl)silyl]azepan-2-one
CID 140709512
2-amino-2-(2-oxoazepan-1-yl)acetaldehyde
CID 88766977
CID 174856842
CID 174856842
1-(cycloheptylidenemethyl)pyrrolidin-2-one
CID 102490481
1-[(2-oxoazepan-1-yl)methyl]azepan-2-one
CID 11746692
1-(2,2-dimethoxyethyl)azepane-2,7-dione
CID 60976210
1-methoxyazepane-2,7-dione
CID 134892605
cyclotricosanone
CID 54375596
cyclotridecane-1,2-dione
CID 67428267
cyclododecanone
CID 141308130
(2-oxopyrrolidin-1-yl) formate;silver
CID 87555007
argon;carbanide;1-methylpiperidin-2-one;yttrium
CID 162062562

Frequently Asked Questions

What is the IUPAC name of 2,9-dioxoazonane-1-carbaldehyde?
The IUPAC name of 2,9-dioxoazonane-1-carbaldehyde (CID 154091966) is 2,9-dioxoazonane-1-carbaldehyde.
What is the SMILES notation for 2,9-dioxoazonane-1-carbaldehyde?
The canonical SMILES for 2,9-dioxoazonane-1-carbaldehyde is O=CN1C(=O)CCCCCCC1=O.
What is the InChIKey of 2,9-dioxoazonane-1-carbaldehyde?
The InChIKey is SSHAJMDHPVBOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-7-10-8(12)5-3-1-2-4-6-9(10)13/h7H,1-6H2.
What are the key properties of 2,9-dioxoazonane-1-carbaldehyde?
2,9-dioxoazonane-1-carbaldehyde has a molecular weight of 183.21 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dioxoazonane-1-carbaldehyde is sourced from PubChem (CID 154091966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).