cis-(1S,2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methylcyclopropane-1-carboxamide

C13H22N2O — CID 94121437

IUPACcis-(1S,2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN2CCCC[C@H]12
InChIInChI=1S/C13H22N2O/c1-9-8-10(9)13(16)14-11-5-7-15-6-3-2-4-12(11)15/h9-12H,2-8H2,1H3,(H,14,16)/t9-,10+,11-,12-/m1/s1
InChIKeyXBIRKIVJDHTDAJ-WRWGMCAJSA-N
MW222.33 g/mol
LogP1.39
Rot. Bonds2

About cis-(1S,2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 94121437) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methylcyclopropane-1-carboxamide
PubChem CID94121437
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Namecis-(1S,2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN2CCCC[C@H]12
InChIInChI=1S/C13H22N2O/c1-9-8-10(9)13(16)14-11-5-7-15-6-3-2-4-12(11)15/h9-12H,2-8H2,1H3,(H,14,16)/t9-,10+,11-,12-/m1/s1
InChIKeyXBIRKIVJDHTDAJ-WRWGMCAJSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1S,2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 60770068
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119857971
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpyrrolidine-3-carboxamide
CID 79388899
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835591
(2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]oxolane-2-carboxamide
CID 100570398
2-methyl-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide
CID 4084655
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide
CID 107903723
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)prop-2-enamide
CID 43698480
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide
CID 63680826
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)propanamide;dihydrochloride
CID 119857996
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrrolidine-1-carboxamide
CID 115584130
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-2-carboxamide
CID 43696375

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methylcyclopropane-1-carboxamide (CID 94121437) is cis-(1S,2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methylcyclopropane-1-carboxamide is C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN2CCCC[C@H]12.
What is the InChIKey of cis-(1S,2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is XBIRKIVJDHTDAJ-WRWGMCAJSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9-8-10(9)13(16)14-11-5-7-15-6-3-2-4-12(11)15/h9-12H,2-8H2,1H3,(H,14,16)/t9-,10+,11-,12-/m1/s1.
What are the key properties of cis-(1S,2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 94121437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).