2-[(1S)-cyclopent-2-en-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide

C18H24N2O — CID 51939102

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
SMILESO=C(C[C@H]1C=CCC1)NC[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C18H24N2O/c21-18(12-15-6-4-5-7-15)19-13-16-10-11-20(14-16)17-8-2-1-3-9-17/h1-4,6,8-9,15-16H,5,7,10-14H2,(H,19,21)/t15-,16+/m0/s1
InChIKeyZBMLFKCLZMMPMN-JKSUJKDBSA-N
MW284.40 g/mol
LogP2.99
Rot. Bonds5

About 2-[(1S)-cyclopent-2-en-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide

2-[(1S)-cyclopent-2-en-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide (PubChem CID 51939102) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
PubChem CID51939102
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
SMILESO=C(C[C@H]1C=CCC1)NC[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C18H24N2O/c21-18(12-15-6-4-5-7-15)19-13-16-10-11-20(14-16)17-8-2-1-3-9-17/h1-4,6,8-9,15-16H,5,7,10-14H2,(H,19,21)/t15-,16+/m0/s1
InChIKeyZBMLFKCLZMMPMN-JKSUJKDBSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-cyclopent-2-en-1-yl]-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 95310394
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-cyclopent-2-en-1-ylacetamide
CID 47086847
(1S)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 98672750
2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 97220298
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 119854864
N-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide
CID 86993830
2-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 124786505
3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 120612518
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
CID 110640322
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 110899469

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide (CID 51939102) is 2-[(1S)-cyclopent-2-en-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide is O=C(C[C@H]1C=CCC1)NC[C@H]1CCN(c2ccccc2)C1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
The InChIKey is ZBMLFKCLZMMPMN-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H24N2O/c21-18(12-15-6-4-5-7-15)19-13-16-10-11-20(14-16)17-8-2-1-3-9-17/h1-4,6,8-9,15-16H,5,7,10-14H2,(H,19,21)/t15-,16+/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
2-[(1S)-cyclopent-2-en-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide has a molecular weight of 284.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 51939102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).