N-(2,3-dimethylcyclopentyl)-3-methylbut-2-enamide

C12H21NO — CID 130489498

IUPACN-(2,3-dimethylcyclopentyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CCC(C)C1C
InChIInChI=1S/C12H21NO/c1-8(2)7-12(14)13-11-6-5-9(3)10(11)4/h7,9-11H,5-6H2,1-4H3,(H,13,14)
InChIKeyNEPPBOQLEBFRSE-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.50
Rot. Bonds2

About N-(2,3-dimethylcyclopentyl)-3-methylbut-2-enamide

N-(2,3-dimethylcyclopentyl)-3-methylbut-2-enamide (PubChem CID 130489498) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-3-methylbut-2-enamide
PubChem CID130489498
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(2,3-dimethylcyclopentyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CCC(C)C1C
InChIInChI=1S/C12H21NO/c1-8(2)7-12(14)13-11-6-5-9(3)10(11)4/h7,9-11H,5-6H2,1-4H3,(H,13,14)
InChIKeyNEPPBOQLEBFRSE-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-3-methylbut-2-enamide?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-3-methylbut-2-enamide (CID 130489498) is N-(2,3-dimethylcyclopentyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-3-methylbut-2-enamide is CC(C)=CC(=O)NC1CCC(C)C1C.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-3-methylbut-2-enamide?
The InChIKey is NEPPBOQLEBFRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8(2)7-12(14)13-11-6-5-9(3)10(11)4/h7,9-11H,5-6H2,1-4H3,(H,13,14).
What are the key properties of N-(2,3-dimethylcyclopentyl)-3-methylbut-2-enamide?
N-(2,3-dimethylcyclopentyl)-3-methylbut-2-enamide has a molecular weight of 195.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-3-methylbut-2-enamide is sourced from PubChem (CID 130489498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).