N-cyclohex-2-en-1-yl-2,2-dimethylpropanamide

C11H19NO — CID 13422185

IUPACN-cyclohex-2-en-1-yl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1C=CCCC1
InChIInChI=1S/C11H19NO/c1-11(2,3)10(13)12-9-7-5-4-6-8-9/h5,7,9H,4,6,8H2,1-3H3,(H,12,13)
InChIKeyDQXDZTIBYCJQBF-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.26
Rot. Bonds1

About N-cyclohex-2-en-1-yl-2,2-dimethylpropanamide

N-cyclohex-2-en-1-yl-2,2-dimethylpropanamide (PubChem CID 13422185) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-2,2-dimethylpropanamide
PubChem CID13422185
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-cyclohex-2-en-1-yl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1C=CCCC1
InChIInChI=1S/C11H19NO/c1-11(2,3)10(13)12-9-7-5-4-6-8-9/h5,7,9H,4,6,8H2,1-3H3,(H,12,13)
InChIKeyDQXDZTIBYCJQBF-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
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-yl-2,2-dimethylpropanamide?
The IUPAC name of N-cyclohex-2-en-1-yl-2,2-dimethylpropanamide (CID 13422185) is N-cyclohex-2-en-1-yl-2,2-dimethylpropanamide.
What is the SMILES notation for N-cyclohex-2-en-1-yl-2,2-dimethylpropanamide?
The canonical SMILES for N-cyclohex-2-en-1-yl-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1C=CCCC1.
What is the InChIKey of N-cyclohex-2-en-1-yl-2,2-dimethylpropanamide?
The InChIKey is DQXDZTIBYCJQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(2,3)10(13)12-9-7-5-4-6-8-9/h5,7,9H,4,6,8H2,1-3H3,(H,12,13).
What are the key properties of N-cyclohex-2-en-1-yl-2,2-dimethylpropanamide?
N-cyclohex-2-en-1-yl-2,2-dimethylpropanamide has a molecular weight of 181.28 g/mol, XLogP of 2.26, 1 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-yl-2,2-dimethylpropanamide is sourced from PubChem (CID 13422185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).