(3R)-5-oxo-N-[(1S,6S,7R,8S)-8-phenyl-7-bicyclo[4.2.0]octanyl]-1-prop-2-enylpyrrolidine-3-carboxamide

C22H28N2O2 — CID 92548302

IUPAC(3R)-5-oxo-N-[(1S,6S,7R,8S)-8-phenyl-7-bicyclo[4.2.0]octanyl]-1-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCN1C[C@H](C(=O)N[C@@H]2[C@H]3CCCC[C@@H]3[C@H]2c2ccccc2)CC1=O
InChIInChI=1S/C22H28N2O2/c1-2-12-24-14-16(13-19(24)25)22(26)23-21-18-11-7-6-10-17(18)20(21)15-8-4-3-5-9-15/h2-5,8-9,16-18,20-21H,1,6-7,10-14H2,(H,23,26)/t16-,17+,18+,20-,21-/m1/s1
InChIKeyZPXCRBBIHGGEAR-MGSPEMMDSA-N
MW352.48 g/mol
LogP3.11
Rot. Bonds5

About (3R)-5-oxo-N-[(1S,6S,7R,8S)-8-phenyl-7-bicyclo[4.2.0]octanyl]-1-prop-2-enylpyrrolidine-3-carboxamide

(3R)-5-oxo-N-[(1S,6S,7R,8S)-8-phenyl-7-bicyclo[4.2.0]octanyl]-1-prop-2-enylpyrrolidine-3-carboxamide (PubChem CID 92548302) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (3R)-5-oxo-N-[(1S,6S,7R,8S)-8-phenyl-7-bicyclo[4.2.0]octanyl]-1-prop-2-enylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-oxo-N-[(1S,6S,7R,8S)-8-phenyl-7-bicyclo[4.2.0]octanyl]-1-prop-2-enylpyrrolidine-3-carboxamide
PubChem CID92548302
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(3R)-5-oxo-N-[(1S,6S,7R,8S)-8-phenyl-7-bicyclo[4.2.0]octanyl]-1-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCN1C[C@H](C(=O)N[C@@H]2[C@H]3CCCC[C@@H]3[C@H]2c2ccccc2)CC1=O
InChIInChI=1S/C22H28N2O2/c1-2-12-24-14-16(13-19(24)25)22(26)23-21-18-11-7-6-10-17(18)20(21)15-8-4-3-5-9-15/h2-5,8-9,16-18,20-21H,1,6-7,10-14H2,(H,23,26)/t16-,17+,18+,20-,21-/m1/s1
InChIKeyZPXCRBBIHGGEAR-MGSPEMMDSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-5-oxo-N-[(1S,6S,7R,8S)-8-phenyl-7-bicyclo[4.2.0]octanyl]-1-prop-2-enylpyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-methyl-5-oxo-N-[(1S,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]pyrrolidine-3-carboxamide
CID 126417177
2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]acetamide
CID 126417233
formic acid;2-[4-[(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)amino]piperidin-1-yl]acetic acid
CID 154912573
(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl chloride
CID 94075728
5-oxo-1-prop-2-enyl-N-[1-(thian-4-yl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 131912773
(3R)-1-benzyl-N-[(1S,2S)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
CID 51671621
(3R)-N-cyclopropyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51373179
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 95131890
(3S)-1-(2-methylpropyl)-5-oxo-N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide
CID 37352761
9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 140505234
5-oxo-1-prop-2-enyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-3-carboxamide
CID 131943338
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 131900696

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-N-[(1S,6S,7R,8S)-8-phenyl-7-bicyclo[4.2.0]octanyl]-1-prop-2-enylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-5-oxo-N-[(1S,6S,7R,8S)-8-phenyl-7-bicyclo[4.2.0]octanyl]-1-prop-2-enylpyrrolidine-3-carboxamide (CID 92548302) is (3R)-5-oxo-N-[(1S,6S,7R,8S)-8-phenyl-7-bicyclo[4.2.0]octanyl]-1-prop-2-enylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-5-oxo-N-[(1S,6S,7R,8S)-8-phenyl-7-bicyclo[4.2.0]octanyl]-1-prop-2-enylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-5-oxo-N-[(1S,6S,7R,8S)-8-phenyl-7-bicyclo[4.2.0]octanyl]-1-prop-2-enylpyrrolidine-3-carboxamide is C=CCN1C[C@H](C(=O)N[C@@H]2[C@H]3CCCC[C@@H]3[C@H]2c2ccccc2)CC1=O.
What is the InChIKey of (3R)-5-oxo-N-[(1S,6S,7R,8S)-8-phenyl-7-bicyclo[4.2.0]octanyl]-1-prop-2-enylpyrrolidine-3-carboxamide?
The InChIKey is ZPXCRBBIHGGEAR-MGSPEMMDSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-12-24-14-16(13-19(24)25)22(26)23-21-18-11-7-6-10-17(18)20(21)15-8-4-3-5-9-15/h2-5,8-9,16-18,20-21H,1,6-7,10-14H2,(H,23,26)/t16-,17+,18+,20-,21-/m1/s1.
What are the key properties of (3R)-5-oxo-N-[(1S,6S,7R,8S)-8-phenyl-7-bicyclo[4.2.0]octanyl]-1-prop-2-enylpyrrolidine-3-carboxamide?
(3R)-5-oxo-N-[(1S,6S,7R,8S)-8-phenyl-7-bicyclo[4.2.0]octanyl]-1-prop-2-enylpyrrolidine-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-N-[(1S,6S,7R,8S)-8-phenyl-7-bicyclo[4.2.0]octanyl]-1-prop-2-enylpyrrolidine-3-carboxamide is sourced from PubChem (CID 92548302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).