9b-methyl-2-propyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizine

C15H25N — CID 3112660

IUPAC9b-methyl-2-propyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizine
SMILESCCCC1CN2CCC3=C(CCC3)C2(C)C1
InChIInChI=1S/C15H25N/c1-3-5-12-10-15(2)14-7-4-6-13(14)8-9-16(15)11-12/h12H,3-11H2,1-2H3
InChIKeyYOJMHIPQKWYITI-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.75
Rot. Bonds2

About 9b-methyl-2-propyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizine

9b-methyl-2-propyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizine (PubChem CID 3112660) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 9b-methyl-2-propyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizine.

Molecular Properties

Compound Name9b-methyl-2-propyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizine
PubChem CID3112660
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name9b-methyl-2-propyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizine
SMILESCCCC1CN2CCC3=C(CCC3)C2(C)C1
InChIInChI=1S/C15H25N/c1-3-5-12-10-15(2)14-7-4-6-13(14)8-9-16(15)11-12/h12H,3-11H2,1-2H3
InChIKeyYOJMHIPQKWYITI-UHFFFAOYSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9b-methyl-2-propyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizine?
The IUPAC name of 9b-methyl-2-propyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizine (CID 3112660) is 9b-methyl-2-propyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizine.
What is the SMILES notation for 9b-methyl-2-propyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizine?
The canonical SMILES for 9b-methyl-2-propyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizine is CCCC1CN2CCC3=C(CCC3)C2(C)C1.
What is the InChIKey of 9b-methyl-2-propyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizine?
The InChIKey is YOJMHIPQKWYITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-3-5-12-10-15(2)14-7-4-6-13(14)8-9-16(15)11-12/h12H,3-11H2,1-2H3.
What are the key properties of 9b-methyl-2-propyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizine?
9b-methyl-2-propyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizine has a molecular weight of 219.37 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-methyl-2-propyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizine is sourced from PubChem (CID 3112660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).