(E)-N-cyclopentyl-4-(dimethylamino)but-2-enamide

C11H20N2O — CID 23597256

IUPAC(E)-N-cyclopentyl-4-(dimethylamino)but-2-enamide
SMILESCN(C)C/C=C/C(=O)NC1CCCC1
InChIInChI=1S/C11H20N2O/c1-13(2)9-5-8-11(14)12-10-6-3-4-7-10/h5,8,10H,3-4,6-7,9H2,1-2H3,(H,12,14)/b8-5+
InChIKeyRSMIOEZKRIGWEE-VMPITWQZSA-N
MW196.29 g/mol
LogP1.16
Rot. Bonds4

About (E)-N-cyclopentyl-4-(dimethylamino)but-2-enamide

(E)-N-cyclopentyl-4-(dimethylamino)but-2-enamide (PubChem CID 23597256) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (E)-N-cyclopentyl-4-(dimethylamino)but-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopentyl-4-(dimethylamino)but-2-enamide
PubChem CID23597256
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(E)-N-cyclopentyl-4-(dimethylamino)but-2-enamide
SMILESCN(C)C/C=C/C(=O)NC1CCCC1
InChIInChI=1S/C11H20N2O/c1-13(2)9-5-8-11(14)12-10-6-3-4-7-10/h5,8,10H,3-4,6-7,9H2,1-2H3,(H,12,14)/b8-5+
InChIKeyRSMIOEZKRIGWEE-VMPITWQZSA-N
XLogP1.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E)-N-cyclopentyl-4-(dimethylamino)but-2-enamide?
The IUPAC name of (E)-N-cyclopentyl-4-(dimethylamino)but-2-enamide (CID 23597256) is (E)-N-cyclopentyl-4-(dimethylamino)but-2-enamide.
What is the SMILES notation for (E)-N-cyclopentyl-4-(dimethylamino)but-2-enamide?
The canonical SMILES for (E)-N-cyclopentyl-4-(dimethylamino)but-2-enamide is CN(C)C/C=C/C(=O)NC1CCCC1.
What is the InChIKey of (E)-N-cyclopentyl-4-(dimethylamino)but-2-enamide?
The InChIKey is RSMIOEZKRIGWEE-VMPITWQZSA-N. The full InChI is InChI=1S/C11H20N2O/c1-13(2)9-5-8-11(14)12-10-6-3-4-7-10/h5,8,10H,3-4,6-7,9H2,1-2H3,(H,12,14)/b8-5+.
What are the key properties of (E)-N-cyclopentyl-4-(dimethylamino)but-2-enamide?
(E)-N-cyclopentyl-4-(dimethylamino)but-2-enamide has a molecular weight of 196.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopentyl-4-(dimethylamino)but-2-enamide is sourced from PubChem (CID 23597256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).