2-cyclohex-2-en-1-yl-N-(2-methylpropyl)acetamide

C12H21NO — CID 14294997

IUPAC2-cyclohex-2-en-1-yl-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CC1C=CCCC1
InChIInChI=1S/C12H21NO/c1-10(2)9-13-12(14)8-11-6-4-3-5-7-11/h4,6,10-11H,3,5,7-9H2,1-2H3,(H,13,14)
InChIKeyABNTVMWZEWBZAL-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.51
Rot. Bonds4

About 2-cyclohex-2-en-1-yl-N-(2-methylpropyl)acetamide

2-cyclohex-2-en-1-yl-N-(2-methylpropyl)acetamide (PubChem CID 14294997) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yl-N-(2-methylpropyl)acetamide
PubChem CID14294997
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-cyclohex-2-en-1-yl-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CC1C=CCCC1
InChIInChI=1S/C12H21NO/c1-10(2)9-13-12(14)8-11-6-4-3-5-7-11/h4,6,10-11H,3,5,7-9H2,1-2H3,(H,13,14)
InChIKeyABNTVMWZEWBZAL-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.51
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 2-cyclohex-2-en-1-yl-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-cyclohex-2-en-1-yl-N-(2-methylpropyl)acetamide (CID 14294997) is 2-cyclohex-2-en-1-yl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-cyclohex-2-en-1-yl-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-cyclohex-2-en-1-yl-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CC1C=CCCC1.
What is the InChIKey of 2-cyclohex-2-en-1-yl-N-(2-methylpropyl)acetamide?
The InChIKey is ABNTVMWZEWBZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(2)9-13-12(14)8-11-6-4-3-5-7-11/h4,6,10-11H,3,5,7-9H2,1-2H3,(H,13,14).
What are the key properties of 2-cyclohex-2-en-1-yl-N-(2-methylpropyl)acetamide?
2-cyclohex-2-en-1-yl-N-(2-methylpropyl)acetamide has a molecular weight of 195.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 14294997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).