2-(2-amino-3-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

C12H17N3O — CID 104540689

IUPAC2-(2-amino-3-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESNc1ncccc1N1CC2CCC(O)C2C1
InChIInChI=1S/C12H17N3O/c13-12-10(2-1-5-14-12)15-6-8-3-4-11(16)9(8)7-15/h1-2,5,8-9,11,16H,3-4,6-7H2,(H2,13,14)
InChIKeyBZSKNPCXLWHFRM-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.87
Rot. Bonds1

About 2-(2-amino-3-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

2-(2-amino-3-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 104540689) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(2-amino-3-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-(2-amino-3-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID104540689
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(2-amino-3-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESNc1ncccc1N1CC2CCC(O)C2C1
InChIInChI=1S/C12H17N3O/c13-12-10(2-1-5-14-12)15-6-8-3-4-11(16)9(8)7-15/h1-2,5,8-9,11,16H,3-4,6-7H2,(H2,13,14)
InChIKeyBZSKNPCXLWHFRM-UHFFFAOYSA-N
XLogP0.87
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-amino-3-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol with MolForge

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Launch Full Analysis

Related Compounds

2-[3-[(1S)-1-aminoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 114056364
1-(2-amino-3-pyridinyl)-3-methylpiperidin-4-ol
CID 114677796
2-(7-aminoquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103001686
3-(4-fluoropiperidin-1-yl)pyridin-2-amine
CID 67335941
3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid
CID 113399435
2-(5-amino-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 102768954
3-(azocan-1-yl)pyridin-2-amine
CID 104539725
2-(3-amino-4-phenyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103383978
8-(2-amino-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 104540402
2-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103365080
[4-(2-amino-3-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 102932034
2-[3-(aminomethyl)-4-methyl-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 113399126

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 2-(2-amino-3-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 104540689) is 2-(2-amino-3-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 2-(2-amino-3-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 2-(2-amino-3-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is Nc1ncccc1N1CC2CCC(O)C2C1.
What is the InChIKey of 2-(2-amino-3-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is BZSKNPCXLWHFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-12-10(2-1-5-14-12)15-6-8-3-4-11(16)9(8)7-15/h1-2,5,8-9,11,16H,3-4,6-7H2,(H2,13,14).
What are the key properties of 2-(2-amino-3-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-(2-amino-3-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 219.29 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 104540689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).