2,3,3a,4,6,7,8,9,9a,9b-decahydro-1H-pyrrolo[3,4-a]indolizine

C10H18N2 — CID 54594924

IUPAC2,3,3a,4,6,7,8,9,9a,9b-decahydro-1H-pyrrolo[3,4-a]indolizine
SMILESC1CCN2CC3CNCC3C2C1
InChIInChI=1S/C10H18N2/c1-2-4-12-7-8-5-11-6-9(8)10(12)3-1/h8-11H,1-7H2
InChIKeyATTNTEJBTCFFOL-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.69
Rot. Bonds

About 2,3,3a,4,6,7,8,9,9a,9b-decahydro-1H-pyrrolo[3,4-a]indolizine

2,3,3a,4,6,7,8,9,9a,9b-decahydro-1H-pyrrolo[3,4-a]indolizine (PubChem CID 54594924) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2,3,3a,4,6,7,8,9,9a,9b-decahydro-1H-pyrrolo[3,4-a]indolizine.

Molecular Properties

Compound Name2,3,3a,4,6,7,8,9,9a,9b-decahydro-1H-pyrrolo[3,4-a]indolizine
PubChem CID54594924
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2,3,3a,4,6,7,8,9,9a,9b-decahydro-1H-pyrrolo[3,4-a]indolizine
SMILESC1CCN2CC3CNCC3C2C1
InChIInChI=1S/C10H18N2/c1-2-4-12-7-8-5-11-6-9(8)10(12)3-1/h8-11H,1-7H2
InChIKeyATTNTEJBTCFFOL-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,6,7,8,9,9a,9b-decahydro-1H-pyrrolo[3,4-a]indolizine?
The IUPAC name of 2,3,3a,4,6,7,8,9,9a,9b-decahydro-1H-pyrrolo[3,4-a]indolizine (CID 54594924) is 2,3,3a,4,6,7,8,9,9a,9b-decahydro-1H-pyrrolo[3,4-a]indolizine.
What is the SMILES notation for 2,3,3a,4,6,7,8,9,9a,9b-decahydro-1H-pyrrolo[3,4-a]indolizine?
The canonical SMILES for 2,3,3a,4,6,7,8,9,9a,9b-decahydro-1H-pyrrolo[3,4-a]indolizine is C1CCN2CC3CNCC3C2C1.
What is the InChIKey of 2,3,3a,4,6,7,8,9,9a,9b-decahydro-1H-pyrrolo[3,4-a]indolizine?
The InChIKey is ATTNTEJBTCFFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-4-12-7-8-5-11-6-9(8)10(12)3-1/h8-11H,1-7H2.
What are the key properties of 2,3,3a,4,6,7,8,9,9a,9b-decahydro-1H-pyrrolo[3,4-a]indolizine?
2,3,3a,4,6,7,8,9,9a,9b-decahydro-1H-pyrrolo[3,4-a]indolizine has a molecular weight of 166.27 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,6,7,8,9,9a,9b-decahydro-1H-pyrrolo[3,4-a]indolizine is sourced from PubChem (CID 54594924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).