(3aS,6aR)-5-pyridin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C11H15N3 — CID 10081211

IUPAC(3aS,6aR)-5-pyridin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESc1cncc(N2C[C@H]3CNC[C@H]3C2)c1
InChIInChI=1S/C11H15N3/c1-2-11(6-12-3-1)14-7-9-4-13-5-10(9)8-14/h1-3,6,9-10,13H,4-5,7-8H2/t9-,10+
InChIKeyKOMXDDRATCALPT-AOOOYVTPSA-N
MW189.26 g/mol
LogP0.74
Rot. Bonds1

About (3aS,6aR)-5-pyridin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

(3aS,6aR)-5-pyridin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 10081211) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is (3aS,6aR)-5-pyridin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aS,6aR)-5-pyridin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID10081211
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name(3aS,6aR)-5-pyridin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESc1cncc(N2C[C@H]3CNC[C@H]3C2)c1
InChIInChI=1S/C11H15N3/c1-2-11(6-12-3-1)14-7-9-4-13-5-10(9)8-14/h1-3,6,9-10,13H,4-5,7-8H2/t9-,10+
InChIKeyKOMXDDRATCALPT-AOOOYVTPSA-N
XLogP0.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-pyridin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of (3aS,6aR)-5-pyridin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 10081211) is (3aS,6aR)-5-pyridin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for (3aS,6aR)-5-pyridin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for (3aS,6aR)-5-pyridin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is c1cncc(N2C[C@H]3CNC[C@H]3C2)c1.
What is the InChIKey of (3aS,6aR)-5-pyridin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is KOMXDDRATCALPT-AOOOYVTPSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-11(6-12-3-1)14-7-9-4-13-5-10(9)8-14/h1-3,6,9-10,13H,4-5,7-8H2/t9-,10+.
What are the key properties of (3aS,6aR)-5-pyridin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
(3aS,6aR)-5-pyridin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 189.26 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-pyridin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 10081211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).