(8aS)-7-pyrrolidin-1-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one

C12H18N2O — CID 58681493

IUPAC(8aS)-7-pyrrolidin-1-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
SMILESO=C1C=C(N2CCCC2)C[C@@H]2CCCN12
InChIInChI=1S/C12H18N2O/c15-12-9-11(13-5-1-2-6-13)8-10-4-3-7-14(10)12/h9-10H,1-8H2/t10-/m0/s1
InChIKeyBZBCKIYTJVPWRR-JTQLQIEISA-N
MW206.29 g/mol
LogP1.36
Rot. Bonds1

About (8aS)-7-pyrrolidin-1-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one

(8aS)-7-pyrrolidin-1-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one (PubChem CID 58681493) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (8aS)-7-pyrrolidin-1-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(8aS)-7-pyrrolidin-1-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
PubChem CID58681493
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(8aS)-7-pyrrolidin-1-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
SMILESO=C1C=C(N2CCCC2)C[C@@H]2CCCN12
InChIInChI=1S/C12H18N2O/c15-12-9-11(13-5-1-2-6-13)8-10-4-3-7-14(10)12/h9-10H,1-8H2/t10-/m0/s1
InChIKeyBZBCKIYTJVPWRR-JTQLQIEISA-N
XLogP1.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aS)-7-pyrrolidin-1-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The IUPAC name of (8aS)-7-pyrrolidin-1-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one (CID 58681493) is (8aS)-7-pyrrolidin-1-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one.
What is the SMILES notation for (8aS)-7-pyrrolidin-1-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The canonical SMILES for (8aS)-7-pyrrolidin-1-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one is O=C1C=C(N2CCCC2)C[C@@H]2CCCN12.
What is the InChIKey of (8aS)-7-pyrrolidin-1-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The InChIKey is BZBCKIYTJVPWRR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O/c15-12-9-11(13-5-1-2-6-13)8-10-4-3-7-14(10)12/h9-10H,1-8H2/t10-/m0/s1.
What are the key properties of (8aS)-7-pyrrolidin-1-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
(8aS)-7-pyrrolidin-1-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one has a molecular weight of 206.29 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-7-pyrrolidin-1-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one is sourced from PubChem (CID 58681493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).