cyclohexanecarboxamide

C7H13NO — CID 14283

IUPACcyclohexanecarboxamide
SMILESNC(=O)C1CCCCC1
InChIInChI=1S/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9)
InChIKeyPNZXMIKHJXIPEK-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.05
Rot. Bonds1

About cyclohexanecarboxamide

cyclohexanecarboxamide (PubChem CID 14283) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is cyclohexanecarboxamide.

Molecular Properties

Compound Namecyclohexanecarboxamide
PubChem CID14283
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Namecyclohexanecarboxamide
SMILESNC(=O)C1CCCCC1
InChIInChI=1S/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9)
InChIKeyPNZXMIKHJXIPEK-UHFFFAOYSA-N
XLogP1.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexanecarboxamide?
The IUPAC name of cyclohexanecarboxamide (CID 14283) is cyclohexanecarboxamide.
What is the SMILES notation for cyclohexanecarboxamide?
The canonical SMILES for cyclohexanecarboxamide is NC(=O)C1CCCCC1.
What is the InChIKey of cyclohexanecarboxamide?
The InChIKey is PNZXMIKHJXIPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9).
What are the key properties of cyclohexanecarboxamide?
cyclohexanecarboxamide has a molecular weight of 127.19 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarboxamide is sourced from PubChem (CID 14283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).