azonane-5-carboxamide

C9H18N2O — CID 175462100

IUPACazonane-5-carboxamide
SMILESNC(=O)C1CCCCNCCC1
InChIInChI=1S/C9H18N2O/c10-9(12)8-4-1-2-6-11-7-3-5-8/h8,11H,1-7H2,(H2,10,12)
InChIKeyDQNXCVPRXWVTEF-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.64
Rot. Bonds1

About azonane-5-carboxamide

azonane-5-carboxamide (PubChem CID 175462100) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is azonane-5-carboxamide.

Molecular Properties

Compound Nameazonane-5-carboxamide
PubChem CID175462100
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Nameazonane-5-carboxamide
SMILESNC(=O)C1CCCCNCCC1
InChIInChI=1S/C9H18N2O/c10-9(12)8-4-1-2-6-11-7-3-5-8/h8,11H,1-7H2,(H2,10,12)
InChIKeyDQNXCVPRXWVTEF-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azonane-5-carboxamide?
The IUPAC name of azonane-5-carboxamide (CID 175462100) is azonane-5-carboxamide.
What is the SMILES notation for azonane-5-carboxamide?
The canonical SMILES for azonane-5-carboxamide is NC(=O)C1CCCCNCCC1.
What is the InChIKey of azonane-5-carboxamide?
The InChIKey is DQNXCVPRXWVTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c10-9(12)8-4-1-2-6-11-7-3-5-8/h8,11H,1-7H2,(H2,10,12).
What are the key properties of azonane-5-carboxamide?
azonane-5-carboxamide has a molecular weight of 170.26 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azonane-5-carboxamide is sourced from PubChem (CID 175462100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).