(E)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide

C16H18N2O2 — CID 95985178

IUPAC(E)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C16H18N2O2/c19-15(9-6-12-4-2-1-3-5-12)17-13-10-16(20)18(11-13)14-7-8-14/h1-6,9,13-14H,7-8,10-11H2,(H,17,19)/b9-6+/t13-/m1/s1
InChIKeyFFCMGTQUORPEEN-YSKGHYERSA-N
MW270.33 g/mol
LogP1.58
Rot. Bonds4

About (E)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide

(E)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide (PubChem CID 95985178) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (E)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
PubChem CID95985178
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(E)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C16H18N2O2/c19-15(9-6-12-4-2-1-3-5-12)17-13-10-16(20)18(11-13)14-7-8-14/h1-6,9,13-14H,7-8,10-11H2,(H,17,19)/b9-6+/t13-/m1/s1
InChIKeyFFCMGTQUORPEEN-YSKGHYERSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.58
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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Related Compounds

(E)-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 178187837
(Z)-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 7547805
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea
CID 110747922
(Z)-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 7255727
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 95985193
benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate
CID 124505476
(E)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-phenylprop-2-enamide
CID 7064383
3-(3-phenylprop-2-enoylamino)cyclopentane-1-carboxylic acid
CID 77110063
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pyridine-2-carboxamide
CID 71789232
(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 1334632
(E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide
CID 127179670

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide (CID 95985178) is (E)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)N[C@@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of (E)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide?
The InChIKey is FFCMGTQUORPEEN-YSKGHYERSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-15(9-6-12-4-2-1-3-5-12)17-13-10-16(20)18(11-13)14-7-8-14/h1-6,9,13-14H,7-8,10-11H2,(H,17,19)/b9-6+/t13-/m1/s1.
What are the key properties of (E)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide?
(E)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide has a molecular weight of 270.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 95985178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).