1-(3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)propan-1-one

C15H27NO — CID 85299700

IUPAC1-(3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)propan-1-one
SMILESCCCCC1CCC2CCCC(C(=O)CC)N12
InChIInChI=1S/C15H27NO/c1-3-5-7-12-10-11-13-8-6-9-14(16(12)13)15(17)4-2/h12-14H,3-11H2,1-2H3
InChIKeyPFXVWWBJFCZGFF-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.54
Rot. Bonds5

About 1-(3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)propan-1-one

1-(3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)propan-1-one (PubChem CID 85299700) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)propan-1-one
PubChem CID85299700
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)propan-1-one
SMILESCCCCC1CCC2CCCC(C(=O)CC)N12
InChIInChI=1S/C15H27NO/c1-3-5-7-12-10-11-13-8-6-9-14(16(12)13)15(17)4-2/h12-14H,3-11H2,1-2H3
InChIKeyPFXVWWBJFCZGFF-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)propan-1-one?
The IUPAC name of 1-(3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)propan-1-one (CID 85299700) is 1-(3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)propan-1-one.
What is the SMILES notation for 1-(3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)propan-1-one?
The canonical SMILES for 1-(3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)propan-1-one is CCCCC1CCC2CCCC(C(=O)CC)N12.
What is the InChIKey of 1-(3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)propan-1-one?
The InChIKey is PFXVWWBJFCZGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-5-7-12-10-11-13-8-6-9-14(16(12)13)15(17)4-2/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-(3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)propan-1-one?
1-(3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)propan-1-one has a molecular weight of 237.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)propan-1-one is sourced from PubChem (CID 85299700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).