(2R)-N,N-dimethyl-2-(2-methylpropyl)pent-4-enamide

C11H21NO — CID 54207178

IUPAC(2R)-N,N-dimethyl-2-(2-methylpropyl)pent-4-enamide
SMILESC=CC[C@@H](CC(C)C)C(=O)N(C)C
InChIInChI=1S/C11H21NO/c1-6-7-10(8-9(2)3)11(13)12(4)5/h6,9-10H,1,7-8H2,2-5H3/t10-/m0/s1
InChIKeyPTHUHFSVMBMKTH-JTQLQIEISA-N
MW183.29 g/mol
LogP2.31
Rot. Bonds5

About (2R)-N,N-dimethyl-2-(2-methylpropyl)pent-4-enamide

(2R)-N,N-dimethyl-2-(2-methylpropyl)pent-4-enamide (PubChem CID 54207178) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-(2-methylpropyl)pent-4-enamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-(2-methylpropyl)pent-4-enamide
PubChem CID54207178
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2R)-N,N-dimethyl-2-(2-methylpropyl)pent-4-enamide
SMILESC=CC[C@@H](CC(C)C)C(=O)N(C)C
InChIInChI=1S/C11H21NO/c1-6-7-10(8-9(2)3)11(13)12(4)5/h6,9-10H,1,7-8H2,2-5H3/t10-/m0/s1
InChIKeyPTHUHFSVMBMKTH-JTQLQIEISA-N
XLogP2.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
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 (2R)-N,N-dimethyl-2-(2-methylpropyl)pent-4-enamide?
The IUPAC name of (2R)-N,N-dimethyl-2-(2-methylpropyl)pent-4-enamide (CID 54207178) is (2R)-N,N-dimethyl-2-(2-methylpropyl)pent-4-enamide.
What is the SMILES notation for (2R)-N,N-dimethyl-2-(2-methylpropyl)pent-4-enamide?
The canonical SMILES for (2R)-N,N-dimethyl-2-(2-methylpropyl)pent-4-enamide is C=CC[C@@H](CC(C)C)C(=O)N(C)C.
What is the InChIKey of (2R)-N,N-dimethyl-2-(2-methylpropyl)pent-4-enamide?
The InChIKey is PTHUHFSVMBMKTH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO/c1-6-7-10(8-9(2)3)11(13)12(4)5/h6,9-10H,1,7-8H2,2-5H3/t10-/m0/s1.
What are the key properties of (2R)-N,N-dimethyl-2-(2-methylpropyl)pent-4-enamide?
(2R)-N,N-dimethyl-2-(2-methylpropyl)pent-4-enamide has a molecular weight of 183.29 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-(2-methylpropyl)pent-4-enamide is sourced from PubChem (CID 54207178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).