N-(2,2-dimethylpropanoyl)cyclohexene-1-carboxamide

C12H19NO2 — CID 86059796

IUPACN-(2,2-dimethylpropanoyl)cyclohexene-1-carboxamide
SMILESCC(C)(C)C(=O)NC(=O)C1=CCCCC1
InChIInChI=1S/C12H19NO2/c1-12(2,3)11(15)13-10(14)9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3,(H,13,14,15)
InChIKeyKUOVVQIHKIHUIJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.18
Rot. Bonds1

About N-(2,2-dimethylpropanoyl)cyclohexene-1-carboxamide

N-(2,2-dimethylpropanoyl)cyclohexene-1-carboxamide (PubChem CID 86059796) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2,2-dimethylpropanoyl)cyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropanoyl)cyclohexene-1-carboxamide
PubChem CID86059796
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-(2,2-dimethylpropanoyl)cyclohexene-1-carboxamide
SMILESCC(C)(C)C(=O)NC(=O)C1=CCCCC1
InChIInChI=1S/C12H19NO2/c1-12(2,3)11(15)13-10(14)9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3,(H,13,14,15)
InChIKeyKUOVVQIHKIHUIJ-UHFFFAOYSA-N
XLogP2.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropanoyl)cyclohexene-1-carboxamide?
The IUPAC name of N-(2,2-dimethylpropanoyl)cyclohexene-1-carboxamide (CID 86059796) is N-(2,2-dimethylpropanoyl)cyclohexene-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropanoyl)cyclohexene-1-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropanoyl)cyclohexene-1-carboxamide is CC(C)(C)C(=O)NC(=O)C1=CCCCC1.
What is the InChIKey of N-(2,2-dimethylpropanoyl)cyclohexene-1-carboxamide?
The InChIKey is KUOVVQIHKIHUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,3)11(15)13-10(14)9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3,(H,13,14,15).
What are the key properties of N-(2,2-dimethylpropanoyl)cyclohexene-1-carboxamide?
N-(2,2-dimethylpropanoyl)cyclohexene-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropanoyl)cyclohexene-1-carboxamide is sourced from PubChem (CID 86059796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).