[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]oxidanium

C8H14NO2+ — CID 163257511

IUPAC[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]oxidanium
SMILESO=C(C1CC1)N1CCC([OH2+])C1
InChIInChI=1S/C8H13NO2/c10-7-3-4-9(5-7)8(11)6-1-2-6/h6-7,10H,1-5H2/p+1
InChIKeyXGHXYIJUKKZFMG-UHFFFAOYSA-O
MW156.20 g/mol
LogP-0.28
Rot. Bonds1

About [1-(cyclopropanecarbonyl)pyrrolidin-3-yl]oxidanium

[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]oxidanium (PubChem CID 163257511) has the molecular formula C8H14NO2+ and a molecular weight of 156.20 g/mol. Its IUPAC name is [1-(cyclopropanecarbonyl)pyrrolidin-3-yl]oxidanium.

Molecular Properties

Compound Name[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]oxidanium
PubChem CID163257511
Molecular FormulaC8H14NO2+
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]oxidanium
SMILESO=C(C1CC1)N1CCC([OH2+])C1
InChIInChI=1S/C8H13NO2/c10-7-3-4-9(5-7)8(11)6-1-2-6/h6-7,10H,1-5H2/p+1
InChIKeyXGHXYIJUKKZFMG-UHFFFAOYSA-O
XLogP-0.28
TPSA43.21 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone
CID 21061776
(4-bromo-3-methylpiperidin-1-yl)-cyclopropylmethanone
CID 114683325
cyclopropyl-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 97181337
(4-chloro-3-methylpiperidin-1-yl)-cyclopropylmethanone
CID 114682955
cyclobutyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291381
(4-methylcyclohexyl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 95933340
(3-aminopyrrolidin-1-yl)-(4-tert-butylcyclohexyl)methanone
CID 62717919
(3-amino-4-ethylpiperidin-1-yl)-cyclopropylmethanone
CID 165441018
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 112630526
1-[(3R)-1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-3-yl]ethanone
CID 168882604
cyclopropyl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200495
cyclohexyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260468

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropanecarbonyl)pyrrolidin-3-yl]oxidanium?
The IUPAC name of [1-(cyclopropanecarbonyl)pyrrolidin-3-yl]oxidanium (CID 163257511) is [1-(cyclopropanecarbonyl)pyrrolidin-3-yl]oxidanium.
What is the SMILES notation for [1-(cyclopropanecarbonyl)pyrrolidin-3-yl]oxidanium?
The canonical SMILES for [1-(cyclopropanecarbonyl)pyrrolidin-3-yl]oxidanium is O=C(C1CC1)N1CCC([OH2+])C1.
What is the InChIKey of [1-(cyclopropanecarbonyl)pyrrolidin-3-yl]oxidanium?
The InChIKey is XGHXYIJUKKZFMG-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H13NO2/c10-7-3-4-9(5-7)8(11)6-1-2-6/h6-7,10H,1-5H2/p+1.
What are the key properties of [1-(cyclopropanecarbonyl)pyrrolidin-3-yl]oxidanium?
[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]oxidanium has a molecular weight of 156.20 g/mol, XLogP of -0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropanecarbonyl)pyrrolidin-3-yl]oxidanium is sourced from PubChem (CID 163257511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).