(2R)-2-(2-methylphenyl)pent-4-enamide

C12H15NO — CID 101197364

IUPAC(2R)-2-(2-methylphenyl)pent-4-enamide
SMILESC=CC[C@@H](C(N)=O)c1ccccc1C
InChIInChI=1S/C12H15NO/c1-3-6-11(12(13)14)10-8-5-4-7-9(10)2/h3-5,7-8,11H,1,6H2,2H3,(H2,13,14)/t11-/m1/s1
InChIKeyWKZPOZBGCSEWIO-LLVKDONJSA-N
MW189.26 g/mol
LogP2.14
Rot. Bonds4

About (2R)-2-(2-methylphenyl)pent-4-enamide

(2R)-2-(2-methylphenyl)pent-4-enamide (PubChem CID 101197364) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (2R)-2-(2-methylphenyl)pent-4-enamide.

Molecular Properties

Compound Name(2R)-2-(2-methylphenyl)pent-4-enamide
PubChem CID101197364
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(2R)-2-(2-methylphenyl)pent-4-enamide
SMILESC=CC[C@@H](C(N)=O)c1ccccc1C
InChIInChI=1S/C12H15NO/c1-3-6-11(12(13)14)10-8-5-4-7-9(10)2/h3-5,7-8,11H,1,6H2,2H3,(H2,13,14)/t11-/m1/s1
InChIKeyWKZPOZBGCSEWIO-LLVKDONJSA-N
XLogP2.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,3,4,5,6-pentafluorophenyl) (2R)-2-(2-methylphenyl)pent-4-enoate
CID 154714313
2-bromo-2-(2-methylphenyl)acetamide
CID 19981756
2-(2-methylphenyl)propanamide;dihydrochloride
CID 162317897
amino (2S)-2-(2-methylphenyl)butanoate
CID 46912072
(2R)-2-(4-fluorophenyl)pent-4-enamide
CID 101191870
(1R)-1-(2-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171209860
2-(2-methylphenyl)hex-5-enal
CID 154302284
N-[(1R)-1-(2-methylphenyl)ethyl]prop-2-enamide
CID 81374722
4-hydroxy-2-methyl-4-(2-methylphenyl)butanamide
CID 174318100
methyl 2-[(1R)-1-aminobut-3-enyl]benzoate;hydrochloride
CID 171211058
4,6-diphenylnona-1,8-dien-5-one
CID 69419927
3-cyclopropyl-2-(2-methylphenyl)propanoic acid
CID 79441994

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylphenyl)pent-4-enamide?
The IUPAC name of (2R)-2-(2-methylphenyl)pent-4-enamide (CID 101197364) is (2R)-2-(2-methylphenyl)pent-4-enamide.
What is the SMILES notation for (2R)-2-(2-methylphenyl)pent-4-enamide?
The canonical SMILES for (2R)-2-(2-methylphenyl)pent-4-enamide is C=CC[C@@H](C(N)=O)c1ccccc1C.
What is the InChIKey of (2R)-2-(2-methylphenyl)pent-4-enamide?
The InChIKey is WKZPOZBGCSEWIO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-6-11(12(13)14)10-8-5-4-7-9(10)2/h3-5,7-8,11H,1,6H2,2H3,(H2,13,14)/t11-/m1/s1.
What are the key properties of (2R)-2-(2-methylphenyl)pent-4-enamide?
(2R)-2-(2-methylphenyl)pent-4-enamide has a molecular weight of 189.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylphenyl)pent-4-enamide is sourced from PubChem (CID 101197364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).