(7R,8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

C10H20N2O — CID 167155883

IUPAC(7R,8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESCC(C)N1CCN2C[C@H](O)C[C@@H]2C1
InChIInChI=1S/C10H20N2O/c1-8(2)11-3-4-12-7-10(13)5-9(12)6-11/h8-10,13H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyVXZKVIHRFUIEPP-NXEZZACHSA-N
MW184.28 g/mol
LogP0.15
Rot. Bonds1

About (7R,8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

(7R,8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (PubChem CID 167155883) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (7R,8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.

Molecular Properties

Compound Name(7R,8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
PubChem CID167155883
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(7R,8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESCC(C)N1CCN2C[C@H](O)C[C@@H]2C1
InChIInChI=1S/C10H20N2O/c1-8(2)11-3-4-12-7-10(13)5-9(12)6-11/h8-10,13H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyVXZKVIHRFUIEPP-NXEZZACHSA-N
XLogP0.15
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R,8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The IUPAC name of (7R,8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (CID 167155883) is (7R,8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.
What is the SMILES notation for (7R,8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The canonical SMILES for (7R,8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is CC(C)N1CCN2C[C@H](O)C[C@@H]2C1.
What is the InChIKey of (7R,8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The InChIKey is VXZKVIHRFUIEPP-NXEZZACHSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)11-3-4-12-7-10(13)5-9(12)6-11/h8-10,13H,3-7H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (7R,8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
(7R,8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol has a molecular weight of 184.28 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is sourced from PubChem (CID 167155883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).