N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylcyclopropene-1-carboxamide

C12H16N2O2 — CID 129083381

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylcyclopropene-1-carboxamide
SMILESO=CC1C=C1C(=O)NC1CN2CCC1CC2
InChIInChI=1S/C12H16N2O2/c15-7-9-5-10(9)12(16)13-11-6-14-3-1-8(11)2-4-14/h5,7-9,11H,1-4,6H2,(H,13,16)
InChIKeyCZOGYUFEOCIPIU-UHFFFAOYSA-N
MW220.27 g/mol
LogP-0.05
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylcyclopropene-1-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylcyclopropene-1-carboxamide (PubChem CID 129083381) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylcyclopropene-1-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylcyclopropene-1-carboxamide
PubChem CID129083381
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylcyclopropene-1-carboxamide
SMILESO=CC1C=C1C(=O)NC1CN2CCC1CC2
InChIInChI=1S/C12H16N2O2/c15-7-9-5-10(9)12(16)13-11-6-14-3-1-8(11)2-4-14/h5,7-9,11H,1-4,6H2,(H,13,16)
InChIKeyCZOGYUFEOCIPIU-UHFFFAOYSA-N
XLogP-0.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydroxybenzamide
CID 15020109
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-cyanobenzamide
CID 24707260
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide
CID 55052611
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6,7-dihydro-5H-pyrrolizine-2-carboxamide
CID 155568030
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-nitrobenzamide
CID 11471353
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide
CID 91948829
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloropyridazine-3-carboxamide
CID 60858694
6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridazine-3-carboxamide
CID 62154374
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide
CID 3523885
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[2,3-b]pyridine-6-carboxamide
CID 58651148

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylcyclopropene-1-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylcyclopropene-1-carboxamide (CID 129083381) is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylcyclopropene-1-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylcyclopropene-1-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylcyclopropene-1-carboxamide is O=CC1C=C1C(=O)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylcyclopropene-1-carboxamide?
The InChIKey is CZOGYUFEOCIPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-7-9-5-10(9)12(16)13-11-6-14-3-1-8(11)2-4-14/h5,7-9,11H,1-4,6H2,(H,13,16).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylcyclopropene-1-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylcyclopropene-1-carboxamide has a molecular weight of 220.27 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylcyclopropene-1-carboxamide is sourced from PubChem (CID 129083381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).