2,3a,10a-trimethyl-1,3,4,5,7,8,9,10-octahydrooxonino[4,5-c]pyrrole

C13H25NO — CID 144707854

IUPAC2,3a,10a-trimethyl-1,3,4,5,7,8,9,10-octahydrooxonino[4,5-c]pyrrole
SMILESCN1CC2(C)CCCCOCCC2(C)C1
InChIInChI=1S/C13H25NO/c1-12-6-4-5-8-15-9-7-13(12,2)11-14(3)10-12/h4-11H2,1-3H3
InChIKeyKWKABAJTPQQZRF-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.54
Rot. Bonds

About 2,3a,10a-trimethyl-1,3,4,5,7,8,9,10-octahydrooxonino[4,5-c]pyrrole

2,3a,10a-trimethyl-1,3,4,5,7,8,9,10-octahydrooxonino[4,5-c]pyrrole (PubChem CID 144707854) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2,3a,10a-trimethyl-1,3,4,5,7,8,9,10-octahydrooxonino[4,5-c]pyrrole.

Molecular Properties

Compound Name2,3a,10a-trimethyl-1,3,4,5,7,8,9,10-octahydrooxonino[4,5-c]pyrrole
PubChem CID144707854
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2,3a,10a-trimethyl-1,3,4,5,7,8,9,10-octahydrooxonino[4,5-c]pyrrole
SMILESCN1CC2(C)CCCCOCCC2(C)C1
InChIInChI=1S/C13H25NO/c1-12-6-4-5-8-15-9-7-13(12,2)11-14(3)10-12/h4-11H2,1-3H3
InChIKeyKWKABAJTPQQZRF-UHFFFAOYSA-N
XLogP2.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3a,10a-trimethyl-1,3,4,5,7,8,9,10-octahydrooxonino[4,5-c]pyrrole with MolForge

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Related Compounds

6-methyl-1-oxa-6-azacycloundecane
CID 123668114
fluoromethane;oxane
CID 171551127
ethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane
CID 168910371
7,9-dimethyl-2-oxa-7-azabicyclo[7.2.0]undecan-1-amine
CID 144708001
1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
5-methyl-1-oxa-5-azacycloundecane
CID 123548674
3,3-dimethyl-oxacyclotetradecane
CID 15424844
4,4,6,6-tetramethyl-1,5-oxazocane
CID 59421161
(3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene
CID 160715479
1-methylpiperidine;tris(2-methylpropane);1-methylpyrrolidine;oxane
CID 160567217
ethane;2-methyl-2-azaspiro[3.6]decane
CID 90761663

Frequently Asked Questions

What is the IUPAC name of 2,3a,10a-trimethyl-1,3,4,5,7,8,9,10-octahydrooxonino[4,5-c]pyrrole?
The IUPAC name of 2,3a,10a-trimethyl-1,3,4,5,7,8,9,10-octahydrooxonino[4,5-c]pyrrole (CID 144707854) is 2,3a,10a-trimethyl-1,3,4,5,7,8,9,10-octahydrooxonino[4,5-c]pyrrole.
What is the SMILES notation for 2,3a,10a-trimethyl-1,3,4,5,7,8,9,10-octahydrooxonino[4,5-c]pyrrole?
The canonical SMILES for 2,3a,10a-trimethyl-1,3,4,5,7,8,9,10-octahydrooxonino[4,5-c]pyrrole is CN1CC2(C)CCCCOCCC2(C)C1.
What is the InChIKey of 2,3a,10a-trimethyl-1,3,4,5,7,8,9,10-octahydrooxonino[4,5-c]pyrrole?
The InChIKey is KWKABAJTPQQZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12-6-4-5-8-15-9-7-13(12,2)11-14(3)10-12/h4-11H2,1-3H3.
What are the key properties of 2,3a,10a-trimethyl-1,3,4,5,7,8,9,10-octahydrooxonino[4,5-c]pyrrole?
2,3a,10a-trimethyl-1,3,4,5,7,8,9,10-octahydrooxonino[4,5-c]pyrrole has a molecular weight of 211.35 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3a,10a-trimethyl-1,3,4,5,7,8,9,10-octahydrooxonino[4,5-c]pyrrole is sourced from PubChem (CID 144707854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).