1-(3,3,3-trifluoropropylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

C11H17F3N2O — CID 114223375

IUPAC1-(3,3,3-trifluoropropylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESO=C1CC(NCCC(F)(F)F)C2CCCCN12
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)4-5-15-8-7-10(17)16-6-2-1-3-9(8)16/h8-9,15H,1-7H2
InChIKeyVGCRRPRBEKZVAZ-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.68
Rot. Bonds3

About 1-(3,3,3-trifluoropropylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

1-(3,3,3-trifluoropropylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 114223375) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID114223375
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name1-(3,3,3-trifluoropropylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESO=C1CC(NCCC(F)(F)F)C2CCCCN12
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)4-5-15-8-7-10(17)16-6-2-1-3-9(8)16/h8-9,15H,1-7H2
InChIKeyVGCRRPRBEKZVAZ-UHFFFAOYSA-N
XLogP1.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(propylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 130486876
2-[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]acetic acid
CID 130486929
1-(3-butoxypropylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238903
2-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]acetic acid
CID 130490582
1-hydrazinyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 130490616
1-[(5-methylthiophen-2-yl)methylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 114223364
tert-butyl N-[3-[[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]methyl]pentan-3-yl]carbamate
CID 114223470
(1S,8aS)-1-(hydroxymethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10888327
1-[(1,1-dioxothiolan-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238821
2-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 64756873
2-(5,5,5-trifluoropentyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
CID 115522556
2-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)acetic acid
CID 82399008

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of 1-(3,3,3-trifluoropropylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 114223375) is 1-(3,3,3-trifluoropropylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for 1-(3,3,3-trifluoropropylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for 1-(3,3,3-trifluoropropylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is O=C1CC(NCCC(F)(F)F)C2CCCCN12.
What is the InChIKey of 1-(3,3,3-trifluoropropylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is VGCRRPRBEKZVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c12-11(13,14)4-5-15-8-7-10(17)16-6-2-1-3-9(8)16/h8-9,15H,1-7H2.
What are the key properties of 1-(3,3,3-trifluoropropylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
1-(3,3,3-trifluoropropylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 250.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 114223375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).