N-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-oxopropyl]prop-2-enamide

C12H18N2O3 — CID 166405696

IUPACN-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-oxopropyl]prop-2-enamide
SMILESC=CC(=O)NCCC(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C12H18N2O3/c1-2-11(15)13-6-5-12(16)14-7-9-3-4-10(8-14)17-9/h2,9-10H,1,3-8H2,(H,13,15)
InChIKeyYJXFZEQDTRHTJH-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.07
Rot. Bonds4

About N-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-oxopropyl]prop-2-enamide

N-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-oxopropyl]prop-2-enamide (PubChem CID 166405696) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-oxopropyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-oxopropyl]prop-2-enamide
PubChem CID166405696
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-oxopropyl]prop-2-enamide
SMILESC=CC(=O)NCCC(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C12H18N2O3/c1-2-11(15)13-6-5-12(16)14-7-9-3-4-10(8-14)17-9/h2,9-10H,1,3-8H2,(H,13,15)
InChIKeyYJXFZEQDTRHTJH-UHFFFAOYSA-N
XLogP0.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-oxopropyl]prop-2-enamide with MolForge

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Related Compounds

N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 61251523
3-(4-aminocyclohexyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66370717
4-amino-4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-one
CID 66370433
4-(2-aminoethyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)heptan-1-one
CID 66371217
6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)hexanoic acid
CID 66372266
N-[3-[2-(3-bromo-4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]prop-2-enamide
CID 139007875
1-cyclohexyl-3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]urea
CID 18152043
tert-butyl N-[3-oxo-3-[4-(prop-2-enoylamino)piperidin-1-yl]propyl]carbamate
CID 108919759
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
4-[2-(prop-2-enoylamino)ethyl]piperidine-1-carboxylic acid
CID 90460311
N-[3-[(2S,3aS,7aS)-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-3-oxopropyl]prop-2-enamide
CID 166405884
N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]prop-2-enamide
CID 172967751

Frequently Asked Questions

What is the IUPAC name of N-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-oxopropyl]prop-2-enamide?
The IUPAC name of N-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-oxopropyl]prop-2-enamide (CID 166405696) is N-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-oxopropyl]prop-2-enamide.
What is the SMILES notation for N-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-oxopropyl]prop-2-enamide?
The canonical SMILES for N-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-oxopropyl]prop-2-enamide is C=CC(=O)NCCC(=O)N1CC2CCC(C1)O2.
What is the InChIKey of N-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-oxopropyl]prop-2-enamide?
The InChIKey is YJXFZEQDTRHTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-11(15)13-6-5-12(16)14-7-9-3-4-10(8-14)17-9/h2,9-10H,1,3-8H2,(H,13,15).
What are the key properties of N-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-oxopropyl]prop-2-enamide?
N-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-oxopropyl]prop-2-enamide has a molecular weight of 238.29 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-oxopropyl]prop-2-enamide is sourced from PubChem (CID 166405696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).