N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)prop-2-enamide

C11H18N2O — CID 43698480

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCN2CCCCC12
InChIInChI=1S/C11H18N2O/c1-2-11(14)12-9-6-8-13-7-4-3-5-10(9)13/h2,9-10H,1,3-8H2,(H,12,14)
InChIKeyJOPGZVPKTKYWPU-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.92
Rot. Bonds2

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)prop-2-enamide

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)prop-2-enamide (PubChem CID 43698480) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)prop-2-enamide
PubChem CID43698480
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCN2CCCCC12
InChIInChI=1S/C11H18N2O/c1-2-11(14)12-9-6-8-13-7-4-3-5-10(9)13/h2,9-10H,1,3-8H2,(H,12,14)
InChIKeyJOPGZVPKTKYWPU-UHFFFAOYSA-N
XLogP0.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)prop-2-enamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)prop-2-enamide (CID 43698480) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)prop-2-enamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)prop-2-enamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)prop-2-enamide is C=CC(=O)NC1CCN2CCCCC12.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)prop-2-enamide?
The InChIKey is JOPGZVPKTKYWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-11(14)12-9-6-8-13-7-4-3-5-10(9)13/h2,9-10H,1,3-8H2,(H,12,14).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)prop-2-enamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)prop-2-enamide has a molecular weight of 194.28 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)prop-2-enamide is sourced from PubChem (CID 43698480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).