(E)-N-[(4S)-2-acetyl-4-prop-1-en-2-ylcyclopenten-1-yl]-3-phenylprop-2-enamide

C19H21NO2 — CID 927811

IUPAC(E)-N-[(4S)-2-acetyl-4-prop-1-en-2-ylcyclopenten-1-yl]-3-phenylprop-2-enamide
SMILESC=C(C)[C@@H]1CC(NC(=O)/C=C/c2ccccc2)=C(C(C)=O)C1
InChIInChI=1S/C19H21NO2/c1-13(2)16-11-17(14(3)21)18(12-16)20-19(22)10-9-15-7-5-4-6-8-15/h4-10,16H,1,11-12H2,2-3H3,(H,20,22)/b10-9+/t16-/m0/s1
InChIKeyVNRCAYMQDJDRNH-SCOAYWHSSA-N
MW295.38 g/mol
LogP3.65
Rot. Bonds5

About (E)-N-[(4S)-2-acetyl-4-prop-1-en-2-ylcyclopenten-1-yl]-3-phenylprop-2-enamide

(E)-N-[(4S)-2-acetyl-4-prop-1-en-2-ylcyclopenten-1-yl]-3-phenylprop-2-enamide (PubChem CID 927811) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (E)-N-[(4S)-2-acetyl-4-prop-1-en-2-ylcyclopenten-1-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4S)-2-acetyl-4-prop-1-en-2-ylcyclopenten-1-yl]-3-phenylprop-2-enamide
PubChem CID927811
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(E)-N-[(4S)-2-acetyl-4-prop-1-en-2-ylcyclopenten-1-yl]-3-phenylprop-2-enamide
SMILESC=C(C)[C@@H]1CC(NC(=O)/C=C/c2ccccc2)=C(C(C)=O)C1
InChIInChI=1S/C19H21NO2/c1-13(2)16-11-17(14(3)21)18(12-16)20-19(22)10-9-15-7-5-4-6-8-15/h4-10,16H,1,11-12H2,2-3H3,(H,20,22)/b10-9+/t16-/m0/s1
InChIKeyVNRCAYMQDJDRNH-SCOAYWHSSA-N
XLogP3.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,5R)-2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-3-phenylprop-2-enamide
CID 928887
(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
CID 875192
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-3-phenyl-N-[(Z)-prop-1-enyl]prop-2-enamide
CID 134845600
3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
CID 3507012
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
N-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide
CID 154425563
(E)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-phenylprop-2-enamide
CID 17122405
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
CID 24632450
(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide
CID 5286756

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4S)-2-acetyl-4-prop-1-en-2-ylcyclopenten-1-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(4S)-2-acetyl-4-prop-1-en-2-ylcyclopenten-1-yl]-3-phenylprop-2-enamide (CID 927811) is (E)-N-[(4S)-2-acetyl-4-prop-1-en-2-ylcyclopenten-1-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(4S)-2-acetyl-4-prop-1-en-2-ylcyclopenten-1-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(4S)-2-acetyl-4-prop-1-en-2-ylcyclopenten-1-yl]-3-phenylprop-2-enamide is C=C(C)[C@@H]1CC(NC(=O)/C=C/c2ccccc2)=C(C(C)=O)C1.
What is the InChIKey of (E)-N-[(4S)-2-acetyl-4-prop-1-en-2-ylcyclopenten-1-yl]-3-phenylprop-2-enamide?
The InChIKey is VNRCAYMQDJDRNH-SCOAYWHSSA-N. The full InChI is InChI=1S/C19H21NO2/c1-13(2)16-11-17(14(3)21)18(12-16)20-19(22)10-9-15-7-5-4-6-8-15/h4-10,16H,1,11-12H2,2-3H3,(H,20,22)/b10-9+/t16-/m0/s1.
What are the key properties of (E)-N-[(4S)-2-acetyl-4-prop-1-en-2-ylcyclopenten-1-yl]-3-phenylprop-2-enamide?
(E)-N-[(4S)-2-acetyl-4-prop-1-en-2-ylcyclopenten-1-yl]-3-phenylprop-2-enamide has a molecular weight of 295.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4S)-2-acetyl-4-prop-1-en-2-ylcyclopenten-1-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 927811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).