(4-aminocyclopent-2-en-1-yl)-(2-benzylpyrrolidin-1-yl)methanone

C17H22N2O — CID 79211356

IUPAC(4-aminocyclopent-2-en-1-yl)-(2-benzylpyrrolidin-1-yl)methanone
SMILESNC1C=CC(C(=O)N2CCCC2Cc2ccccc2)C1
InChIInChI=1S/C17H22N2O/c18-15-9-8-14(12-15)17(20)19-10-4-7-16(19)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,14-16H,4,7,10-12,18H2
InChIKeyDSGFWJORUWDICI-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.12
Rot. Bonds3

About (4-aminocyclopent-2-en-1-yl)-(2-benzylpyrrolidin-1-yl)methanone

(4-aminocyclopent-2-en-1-yl)-(2-benzylpyrrolidin-1-yl)methanone (PubChem CID 79211356) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (4-aminocyclopent-2-en-1-yl)-(2-benzylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminocyclopent-2-en-1-yl)-(2-benzylpyrrolidin-1-yl)methanone
PubChem CID79211356
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(4-aminocyclopent-2-en-1-yl)-(2-benzylpyrrolidin-1-yl)methanone
SMILESNC1C=CC(C(=O)N2CCCC2Cc2ccccc2)C1
InChIInChI=1S/C17H22N2O/c18-15-9-8-14(12-15)17(20)19-10-4-7-16(19)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,14-16H,4,7,10-12,18H2
InChIKeyDSGFWJORUWDICI-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.12
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

(4-aminocyclopent-2-en-1-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107217826
2-(2-benzylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 119183550
(2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120619708
2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone
CID 79854779
(2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone
CID 60940057
7-amino-1-(2-benzylpyrrolidin-1-yl)heptan-1-one
CID 60940295
[1-(aminomethyl)cyclopentyl]-(2-benzylpyrrolidin-1-yl)methanone
CID 115434974
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
(5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95351095
2-(2-aminoethoxy)-1-(2-benzylpyrrolidin-1-yl)ethanone
CID 79473851
1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 95297085
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-benzylpiperidin-1-yl)methanone;hydrochloride
CID 120791287

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclopent-2-en-1-yl)-(2-benzylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-aminocyclopent-2-en-1-yl)-(2-benzylpyrrolidin-1-yl)methanone (CID 79211356) is (4-aminocyclopent-2-en-1-yl)-(2-benzylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-aminocyclopent-2-en-1-yl)-(2-benzylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-aminocyclopent-2-en-1-yl)-(2-benzylpyrrolidin-1-yl)methanone is NC1C=CC(C(=O)N2CCCC2Cc2ccccc2)C1.
What is the InChIKey of (4-aminocyclopent-2-en-1-yl)-(2-benzylpyrrolidin-1-yl)methanone?
The InChIKey is DSGFWJORUWDICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c18-15-9-8-14(12-15)17(20)19-10-4-7-16(19)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,14-16H,4,7,10-12,18H2.
What are the key properties of (4-aminocyclopent-2-en-1-yl)-(2-benzylpyrrolidin-1-yl)methanone?
(4-aminocyclopent-2-en-1-yl)-(2-benzylpyrrolidin-1-yl)methanone has a molecular weight of 270.38 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclopent-2-en-1-yl)-(2-benzylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 79211356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).