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

C8H14N2O — CID 124680679

IUPAC(2R,8aR)-2-amino-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESN[C@@H]1C[C@H]2CCCCN2C1=O
InChIInChI=1S/C8H14N2O/c9-7-5-6-3-1-2-4-10(6)8(7)11/h6-7H,1-5,9H2/t6-,7-/m1/s1
InChIKeyCTOCEGHPUJTFQT-RNFRBKRXSA-N
MW154.21 g/mol
LogP0.10
Rot. Bonds

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

(2R,8aR)-2-amino-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 124680679) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (2R,8aR)-2-amino-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(2R,8aR)-2-amino-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID124680679
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(2R,8aR)-2-amino-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESN[C@@H]1C[C@H]2CCCCN2C1=O
InChIInChI=1S/C8H14N2O/c9-7-5-6-3-1-2-4-10(6)8(7)11/h6-7H,1-5,9H2/t6-,7-/m1/s1
InChIKeyCTOCEGHPUJTFQT-RNFRBKRXSA-N
XLogP0.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,8aR)-2-amino-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of (2R,8aR)-2-amino-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 124680679) is (2R,8aR)-2-amino-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for (2R,8aR)-2-amino-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for (2R,8aR)-2-amino-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is N[C@@H]1C[C@H]2CCCCN2C1=O.
What is the InChIKey of (2R,8aR)-2-amino-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is CTOCEGHPUJTFQT-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H14N2O/c9-7-5-6-3-1-2-4-10(6)8(7)11/h6-7H,1-5,9H2/t6-,7-/m1/s1.
What are the key properties of (2R,8aR)-2-amino-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
(2R,8aR)-2-amino-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 154.21 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8aR)-2-amino-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 124680679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).