1,3,3a,4,5,7,8,9,9a,9b-decahydropyrrolo[3,2-g]indolizin-2-one

C10H16N2O — CID 105438896

IUPAC1,3,3a,4,5,7,8,9,9a,9b-decahydropyrrolo[3,2-g]indolizin-2-one
SMILESO=C1CC2CCN3CCCC3C2N1
InChIInChI=1S/C10H16N2O/c13-9-6-7-3-5-12-4-1-2-8(12)10(7)11-9/h7-8,10H,1-6H2,(H,11,13)
InChIKeyGPXKFFGHZUHGKH-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.36
Rot. Bonds

About 1,3,3a,4,5,7,8,9,9a,9b-decahydropyrrolo[3,2-g]indolizin-2-one

1,3,3a,4,5,7,8,9,9a,9b-decahydropyrrolo[3,2-g]indolizin-2-one (PubChem CID 105438896) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1,3,3a,4,5,7,8,9,9a,9b-decahydropyrrolo[3,2-g]indolizin-2-one.

Molecular Properties

Compound Name1,3,3a,4,5,7,8,9,9a,9b-decahydropyrrolo[3,2-g]indolizin-2-one
PubChem CID105438896
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1,3,3a,4,5,7,8,9,9a,9b-decahydropyrrolo[3,2-g]indolizin-2-one
SMILESO=C1CC2CCN3CCCC3C2N1
InChIInChI=1S/C10H16N2O/c13-9-6-7-3-5-12-4-1-2-8(12)10(7)11-9/h7-8,10H,1-6H2,(H,11,13)
InChIKeyGPXKFFGHZUHGKH-UHFFFAOYSA-N
XLogP0.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3a,4,5,7,8,9,9a,9b-decahydropyrrolo[3,2-g]indolizin-2-one?
The IUPAC name of 1,3,3a,4,5,7,8,9,9a,9b-decahydropyrrolo[3,2-g]indolizin-2-one (CID 105438896) is 1,3,3a,4,5,7,8,9,9a,9b-decahydropyrrolo[3,2-g]indolizin-2-one.
What is the SMILES notation for 1,3,3a,4,5,7,8,9,9a,9b-decahydropyrrolo[3,2-g]indolizin-2-one?
The canonical SMILES for 1,3,3a,4,5,7,8,9,9a,9b-decahydropyrrolo[3,2-g]indolizin-2-one is O=C1CC2CCN3CCCC3C2N1.
What is the InChIKey of 1,3,3a,4,5,7,8,9,9a,9b-decahydropyrrolo[3,2-g]indolizin-2-one?
The InChIKey is GPXKFFGHZUHGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c13-9-6-7-3-5-12-4-1-2-8(12)10(7)11-9/h7-8,10H,1-6H2,(H,11,13).
What are the key properties of 1,3,3a,4,5,7,8,9,9a,9b-decahydropyrrolo[3,2-g]indolizin-2-one?
1,3,3a,4,5,7,8,9,9a,9b-decahydropyrrolo[3,2-g]indolizin-2-one has a molecular weight of 180.25 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3a,4,5,7,8,9,9a,9b-decahydropyrrolo[3,2-g]indolizin-2-one is sourced from PubChem (CID 105438896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).