nona-2,7-diynediamide

C9H10N2O2 — CID 44721770

IUPACnona-2,7-diynediamide
SMILESNC(=O)C#CCCCC#CC(N)=O
InChIInChI=1S/C9H10N2O2/c10-8(12)6-4-2-1-3-5-7-9(11)13/h1-3H2,(H2,10,12)(H2,11,13)
InChIKeyKXMRUMNQUBIRMM-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.87
Rot. Bonds2

About nona-2,7-diynediamide

nona-2,7-diynediamide (PubChem CID 44721770) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is nona-2,7-diynediamide.

Molecular Properties

Compound Namenona-2,7-diynediamide
PubChem CID44721770
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Namenona-2,7-diynediamide
SMILESNC(=O)C#CCCCC#CC(N)=O
InChIInChI=1S/C9H10N2O2/c10-8(12)6-4-2-1-3-5-7-9(11)13/h1-3H2,(H2,10,12)(H2,11,13)
InChIKeyKXMRUMNQUBIRMM-UHFFFAOYSA-N
XLogP-0.87
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze nona-2,7-diynediamide 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

dimethyl nona-2,7-diynedioate
CID 11858703
2,2-dimethylnon-4-yn-3-one
CID 10773384
nona-2,4,6-triynamide
CID 46878538
non-4-yn-3-one
CID 10887980
methyl octa-2,7-diynoate
CID 11412468
2,2-dimethyltridec-4-yn-3-one
CID 15174370
heptadec-2-ynoic acid
CID 22600366
undec-3-yn-2-one
CID 15626863
undec-6-yn-5-one
CID 11240698
21,22,22-tris(20-amino-20-oxoicosa-16,18-diynyl)-21-[bis(20-amino-20-oxoicosa-16,18-diynyl)amino]tritetraconta-2,4,39,41-tetraynediamide
CID 90862007
pentadec-8-yn-7-one
CID 10846701
tetradec-7-yn-6-one
CID 12537067

Frequently Asked Questions

What is the IUPAC name of nona-2,7-diynediamide?
The IUPAC name of nona-2,7-diynediamide (CID 44721770) is nona-2,7-diynediamide.
What is the SMILES notation for nona-2,7-diynediamide?
The canonical SMILES for nona-2,7-diynediamide is NC(=O)C#CCCCC#CC(N)=O.
What is the InChIKey of nona-2,7-diynediamide?
The InChIKey is KXMRUMNQUBIRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-8(12)6-4-2-1-3-5-7-9(11)13/h1-3H2,(H2,10,12)(H2,11,13).
What are the key properties of nona-2,7-diynediamide?
nona-2,7-diynediamide has a molecular weight of 178.19 g/mol, XLogP of -0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nona-2,7-diynediamide is sourced from PubChem (CID 44721770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).