N,2,6,6-tetramethylcyclohex-2-ene-1-carboxamide

C11H19NO — CID 71407488

IUPACN,2,6,6-tetramethylcyclohex-2-ene-1-carboxamide
SMILESCNC(=O)C1C(C)=CCCC1(C)C
InChIInChI=1S/C11H19NO/c1-8-6-5-7-11(2,3)9(8)10(13)12-4/h6,9H,5,7H2,1-4H3,(H,12,13)
InChIKeyLTHIQWSJFIEGTQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.11
Rot. Bonds1

About N,2,6,6-tetramethylcyclohex-2-ene-1-carboxamide

N,2,6,6-tetramethylcyclohex-2-ene-1-carboxamide (PubChem CID 71407488) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N,2,6,6-tetramethylcyclohex-2-ene-1-carboxamide.

Molecular Properties

Compound NameN,2,6,6-tetramethylcyclohex-2-ene-1-carboxamide
PubChem CID71407488
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN,2,6,6-tetramethylcyclohex-2-ene-1-carboxamide
SMILESCNC(=O)C1C(C)=CCCC1(C)C
InChIInChI=1S/C11H19NO/c1-8-6-5-7-11(2,3)9(8)10(13)12-4/h6,9H,5,7H2,1-4H3,(H,12,13)
InChIKeyLTHIQWSJFIEGTQ-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.11
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,2,6,6-tetramethylcyclohex-2-ene-1-carboxamide?
The IUPAC name of N,2,6,6-tetramethylcyclohex-2-ene-1-carboxamide (CID 71407488) is N,2,6,6-tetramethylcyclohex-2-ene-1-carboxamide.
What is the SMILES notation for N,2,6,6-tetramethylcyclohex-2-ene-1-carboxamide?
The canonical SMILES for N,2,6,6-tetramethylcyclohex-2-ene-1-carboxamide is CNC(=O)C1C(C)=CCCC1(C)C.
What is the InChIKey of N,2,6,6-tetramethylcyclohex-2-ene-1-carboxamide?
The InChIKey is LTHIQWSJFIEGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8-6-5-7-11(2,3)9(8)10(13)12-4/h6,9H,5,7H2,1-4H3,(H,12,13).
What are the key properties of N,2,6,6-tetramethylcyclohex-2-ene-1-carboxamide?
N,2,6,6-tetramethylcyclohex-2-ene-1-carboxamide has a molecular weight of 181.28 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6,6-tetramethylcyclohex-2-ene-1-carboxamide is sourced from PubChem (CID 71407488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).