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

C11H20N2O — CID 130486876

IUPAC1-(propylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCCCNC1CC(=O)N2CCCCC12
InChIInChI=1S/C11H20N2O/c1-2-6-12-9-8-11(14)13-7-4-3-5-10(9)13/h9-10,12H,2-8H2,1H3
InChIKeyJGSGONMQNSPCPM-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.14
Rot. Bonds3

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

1-(propylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 130486876) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(propylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name1-(propylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID130486876
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(propylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCCCNC1CC(=O)N2CCCCC12
InChIInChI=1S/C11H20N2O/c1-2-6-12-9-8-11(14)13-7-4-3-5-10(9)13/h9-10,12H,2-8H2,1H3
InChIKeyJGSGONMQNSPCPM-UHFFFAOYSA-N
XLogP1.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-butoxypropylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238903
1-(3,3,3-trifluoropropylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 114223375
2-[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]acetic acid
CID 130486929
2-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]acetic acid
CID 130490582
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-methyl-1,2,4-triazol-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238950
1-[(1,1-dioxothiolan-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238821
1-[(1-methylpyrazol-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238895
1-[(3-methylphenyl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238791
1-[(6-methyl-3-pyridinyl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238849

Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of 1-(propylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 130486876) is 1-(propylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for 1-(propylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for 1-(propylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is CCCNC1CC(=O)N2CCCCC12.
What is the InChIKey of 1-(propylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is JGSGONMQNSPCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-6-12-9-8-11(14)13-7-4-3-5-10(9)13/h9-10,12H,2-8H2,1H3.
What are the key properties of 1-(propylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
1-(propylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 196.29 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 130486876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).