cobalt;2-oxoazepane-1-carboxylic acid

C7H11CoNO3 — CID 66636049

IUPACcobalt;2-oxoazepane-1-carboxylic acid
SMILESO=C(O)N1CCCCCC1=O.[Co]
InChIInChI=1S/C7H11NO3.Co/c9-6-4-2-1-3-5-8(6)7(10)11;/h1-5H2,(H,10,11);
InChIKeyIRDQCFTUNSAXLD-UHFFFAOYSA-N
MW216.10 g/mol
LogP1.06
Rot. Bonds

About cobalt;2-oxoazepane-1-carboxylic acid

cobalt;2-oxoazepane-1-carboxylic acid (PubChem CID 66636049) has the molecular formula C7H11CoNO3 and a molecular weight of 216.10 g/mol. Its IUPAC name is cobalt;2-oxoazepane-1-carboxylic acid.

Molecular Properties

Compound Namecobalt;2-oxoazepane-1-carboxylic acid
PubChem CID66636049
Molecular FormulaC7H11CoNO3
Molecular Weight216.10 g/mol
Exact Mass216.01
IUPAC Namecobalt;2-oxoazepane-1-carboxylic acid
SMILESO=C(O)N1CCCCCC1=O.[Co]
InChIInChI=1S/C7H11NO3.Co/c9-6-4-2-1-3-5-8(6)7(10)11;/h1-5H2,(H,10,11);
InChIKeyIRDQCFTUNSAXLD-UHFFFAOYSA-N
XLogP1.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.10
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cobalt;2-oxoazepane-1-carboxylic acid?
The IUPAC name of cobalt;2-oxoazepane-1-carboxylic acid (CID 66636049) is cobalt;2-oxoazepane-1-carboxylic acid.
What is the SMILES notation for cobalt;2-oxoazepane-1-carboxylic acid?
The canonical SMILES for cobalt;2-oxoazepane-1-carboxylic acid is O=C(O)N1CCCCCC1=O.[Co].
What is the InChIKey of cobalt;2-oxoazepane-1-carboxylic acid?
The InChIKey is IRDQCFTUNSAXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3.Co/c9-6-4-2-1-3-5-8(6)7(10)11;/h1-5H2,(H,10,11);.
What are the key properties of cobalt;2-oxoazepane-1-carboxylic acid?
cobalt;2-oxoazepane-1-carboxylic acid has a molecular weight of 216.10 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;2-oxoazepane-1-carboxylic acid is sourced from PubChem (CID 66636049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).