N-cyclopentyl-N-(2-methylpropyl)but-2-enamide

C13H23NO — CID 112725797

IUPACN-cyclopentyl-N-(2-methylpropyl)but-2-enamide
SMILESCC=CC(=O)N(CC(C)C)C1CCCC1
InChIInChI=1S/C13H23NO/c1-4-7-13(15)14(10-11(2)3)12-8-5-6-9-12/h4,7,11-12H,5-6,8-10H2,1-3H3
InChIKeyGVZSVIVUSKMVNY-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.99
Rot. Bonds4

About N-cyclopentyl-N-(2-methylpropyl)but-2-enamide

N-cyclopentyl-N-(2-methylpropyl)but-2-enamide (PubChem CID 112725797) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-cyclopentyl-N-(2-methylpropyl)but-2-enamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(2-methylpropyl)but-2-enamide
PubChem CID112725797
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-cyclopentyl-N-(2-methylpropyl)but-2-enamide
SMILESCC=CC(=O)N(CC(C)C)C1CCCC1
InChIInChI=1S/C13H23NO/c1-4-7-13(15)14(10-11(2)3)12-8-5-6-9-12/h4,7,11-12H,5-6,8-10H2,1-3H3
InChIKeyGVZSVIVUSKMVNY-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-N-methylprop-2-enamide
CID 20727735
1-cyclopentyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 19616582
(E)-N-butan-2-yl-N-methylbut-2-enamide
CID 133626498
1-(1-Ethylpentyl)-1H-pyrrole-2,5-dione
CID 5154683
1-cyclohexyl-3-methyl-2H-pyrrol-5-one
CID 14120557
N-cyclopentyl-N,2-dimethylprop-2-enamide
CID 20727734
1-nonan-3-yl-2H-pyrrol-5-one
CID 22335680
1-Heptan-2-ylpyrrole-2,5-dione
CID 22388775
N-cyclopentyl-N-prop-2-enylacetamide
CID 23402944
(E)-N-cyclopentyl-4-(dimethylamino)but-2-enamide
CID 23597256
1-(4-Methylpentan-2-yl)pyrrole-2,5-dione
CID 43372264
1-[(3S)-heptan-3-yl]pyrrole-2,5-dione
CID 51387267

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(2-methylpropyl)but-2-enamide?
The IUPAC name of N-cyclopentyl-N-(2-methylpropyl)but-2-enamide (CID 112725797) is N-cyclopentyl-N-(2-methylpropyl)but-2-enamide.
What is the SMILES notation for N-cyclopentyl-N-(2-methylpropyl)but-2-enamide?
The canonical SMILES for N-cyclopentyl-N-(2-methylpropyl)but-2-enamide is CC=CC(=O)N(CC(C)C)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(2-methylpropyl)but-2-enamide?
The InChIKey is GVZSVIVUSKMVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-7-13(15)14(10-11(2)3)12-8-5-6-9-12/h4,7,11-12H,5-6,8-10H2,1-3H3.
What are the key properties of N-cyclopentyl-N-(2-methylpropyl)but-2-enamide?
N-cyclopentyl-N-(2-methylpropyl)but-2-enamide has a molecular weight of 209.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(2-methylpropyl)but-2-enamide is sourced from PubChem (CID 112725797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).