1,2,3,3a,3b,4-hexahydropyrrolo[3,2-a]pyrrolizine

C9H12N2 — CID 151627126

IUPAC1,2,3,3a,3b,4-hexahydropyrrolo[3,2-a]pyrrolizine
SMILESC1=CN2C=C3NCCC3C2C1
InChIInChI=1S/C9H12N2/c1-2-9-7-3-4-10-8(7)6-11(9)5-1/h1,5-7,9-10H,2-4H2
InChIKeyQPSUBTMBOYIHSY-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.04
Rot. Bonds

About 1,2,3,3a,3b,4-hexahydropyrrolo[3,2-a]pyrrolizine

1,2,3,3a,3b,4-hexahydropyrrolo[3,2-a]pyrrolizine (PubChem CID 151627126) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1,2,3,3a,3b,4-hexahydropyrrolo[3,2-a]pyrrolizine.

Molecular Properties

Compound Name1,2,3,3a,3b,4-hexahydropyrrolo[3,2-a]pyrrolizine
PubChem CID151627126
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1,2,3,3a,3b,4-hexahydropyrrolo[3,2-a]pyrrolizine
SMILESC1=CN2C=C3NCCC3C2C1
InChIInChI=1S/C9H12N2/c1-2-9-7-3-4-10-8(7)6-11(9)5-1/h1,5-7,9-10H,2-4H2
InChIKeyQPSUBTMBOYIHSY-UHFFFAOYSA-N
XLogP1.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,3b,4-hexahydropyrrolo[3,2-a]pyrrolizine?
The IUPAC name of 1,2,3,3a,3b,4-hexahydropyrrolo[3,2-a]pyrrolizine (CID 151627126) is 1,2,3,3a,3b,4-hexahydropyrrolo[3,2-a]pyrrolizine.
What is the SMILES notation for 1,2,3,3a,3b,4-hexahydropyrrolo[3,2-a]pyrrolizine?
The canonical SMILES for 1,2,3,3a,3b,4-hexahydropyrrolo[3,2-a]pyrrolizine is C1=CN2C=C3NCCC3C2C1.
What is the InChIKey of 1,2,3,3a,3b,4-hexahydropyrrolo[3,2-a]pyrrolizine?
The InChIKey is QPSUBTMBOYIHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-9-7-3-4-10-8(7)6-11(9)5-1/h1,5-7,9-10H,2-4H2.
What are the key properties of 1,2,3,3a,3b,4-hexahydropyrrolo[3,2-a]pyrrolizine?
1,2,3,3a,3b,4-hexahydropyrrolo[3,2-a]pyrrolizine has a molecular weight of 148.21 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,3b,4-hexahydropyrrolo[3,2-a]pyrrolizine is sourced from PubChem (CID 151627126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).