(4-aminocyclopent-2-en-1-yl)-(3-methoxypyrrolidin-1-yl)methanone

C11H18N2O2 — CID 103532882

IUPAC(4-aminocyclopent-2-en-1-yl)-(3-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)C2C=CC(N)C2)C1
InChIInChI=1S/C11H18N2O2/c1-15-10-4-5-13(7-10)11(14)8-2-3-9(12)6-8/h2-3,8-10H,4-7,12H2,1H3
InChIKeyZZGUMAUBGUPEEW-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.14
Rot. Bonds2

About (4-aminocyclopent-2-en-1-yl)-(3-methoxypyrrolidin-1-yl)methanone

(4-aminocyclopent-2-en-1-yl)-(3-methoxypyrrolidin-1-yl)methanone (PubChem CID 103532882) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (4-aminocyclopent-2-en-1-yl)-(3-methoxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminocyclopent-2-en-1-yl)-(3-methoxypyrrolidin-1-yl)methanone
PubChem CID103532882
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(4-aminocyclopent-2-en-1-yl)-(3-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)C2C=CC(N)C2)C1
InChIInChI=1S/C11H18N2O2/c1-15-10-4-5-13(7-10)11(14)8-2-3-9(12)6-8/h2-3,8-10H,4-7,12H2,1H3
InChIKeyZZGUMAUBGUPEEW-UHFFFAOYSA-N
XLogP0.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-aminocyclopent-2-en-1-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696679
(4-aminocyclopent-2-en-1-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 79210804
1-[4-(4-aminocyclopent-2-ene-1-carbonyl)piperazin-1-yl]ethanone
CID 79211513
(9-amino-3-bicyclo[3.3.1]nonanyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone;hydrochloride
CID 120991765
[(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 131201233
2-[(3R)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide
CID 90229085
2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide
CID 90229138
(3-aminocyclohexyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103532843
1-(3-methoxypyrrolidin-1-yl)ethanone
CID 19039602
(4-aminocyclopent-2-en-1-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81104024
(3R)-3-methoxy-N-methylpyrrolidine-1-carboxamide
CID 130636410
3-(3-methoxypyrrolidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 103531286

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclopent-2-en-1-yl)-(3-methoxypyrrolidin-1-yl)methanone?
The IUPAC name of (4-aminocyclopent-2-en-1-yl)-(3-methoxypyrrolidin-1-yl)methanone (CID 103532882) is (4-aminocyclopent-2-en-1-yl)-(3-methoxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-aminocyclopent-2-en-1-yl)-(3-methoxypyrrolidin-1-yl)methanone?
The canonical SMILES for (4-aminocyclopent-2-en-1-yl)-(3-methoxypyrrolidin-1-yl)methanone is COC1CCN(C(=O)C2C=CC(N)C2)C1.
What is the InChIKey of (4-aminocyclopent-2-en-1-yl)-(3-methoxypyrrolidin-1-yl)methanone?
The InChIKey is ZZGUMAUBGUPEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-15-10-4-5-13(7-10)11(14)8-2-3-9(12)6-8/h2-3,8-10H,4-7,12H2,1H3.
What are the key properties of (4-aminocyclopent-2-en-1-yl)-(3-methoxypyrrolidin-1-yl)methanone?
(4-aminocyclopent-2-en-1-yl)-(3-methoxypyrrolidin-1-yl)methanone has a molecular weight of 210.28 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclopent-2-en-1-yl)-(3-methoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 103532882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).