N-cyclohex-2-en-1-ylcyclobutanecarboxamide

C11H17NO — CID 13421078

IUPACN-cyclohex-2-en-1-ylcyclobutanecarboxamide
SMILESO=C(NC1C=CCCC1)C1CCC1
InChIInChI=1S/C11H17NO/c13-11(9-5-4-6-9)12-10-7-2-1-3-8-10/h2,7,9-10H,1,3-6,8H2,(H,12,13)
InChIKeyZRRNUFUPZKXFPY-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.01
Rot. Bonds2

About N-cyclohex-2-en-1-ylcyclobutanecarboxamide

N-cyclohex-2-en-1-ylcyclobutanecarboxamide (PubChem CID 13421078) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-cyclohex-2-en-1-ylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-ylcyclobutanecarboxamide
PubChem CID13421078
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-cyclohex-2-en-1-ylcyclobutanecarboxamide
SMILESO=C(NC1C=CCCC1)C1CCC1
InChIInChI=1S/C11H17NO/c13-11(9-5-4-6-9)12-10-7-2-1-3-8-10/h2,7,9-10H,1,3-6,8H2,(H,12,13)
InChIKeyZRRNUFUPZKXFPY-UHFFFAOYSA-N
XLogP2.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-ylcyclobutanecarboxamide?
The IUPAC name of N-cyclohex-2-en-1-ylcyclobutanecarboxamide (CID 13421078) is N-cyclohex-2-en-1-ylcyclobutanecarboxamide.
What is the SMILES notation for N-cyclohex-2-en-1-ylcyclobutanecarboxamide?
The canonical SMILES for N-cyclohex-2-en-1-ylcyclobutanecarboxamide is O=C(NC1C=CCCC1)C1CCC1.
What is the InChIKey of N-cyclohex-2-en-1-ylcyclobutanecarboxamide?
The InChIKey is ZRRNUFUPZKXFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c13-11(9-5-4-6-9)12-10-7-2-1-3-8-10/h2,7,9-10H,1,3-6,8H2,(H,12,13).
What are the key properties of N-cyclohex-2-en-1-ylcyclobutanecarboxamide?
N-cyclohex-2-en-1-ylcyclobutanecarboxamide has a molecular weight of 179.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-ylcyclobutanecarboxamide is sourced from PubChem (CID 13421078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).