(7R,8aR)-7-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-ol

C11H21NO — CID 146395416

IUPAC(7R,8aR)-7-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-ol
SMILESCC(C)[C@@H]1CCN2C(O)CC[C@@H]2C1
InChIInChI=1S/C11H21NO/c1-8(2)9-5-6-12-10(7-9)3-4-11(12)13/h8-11,13H,3-7H2,1-2H3/t9-,10-,11?/m1/s1
InChIKeyVWGWNKJGJKPJPW-DIOIDXFWSA-N
MW183.30 g/mol
LogP1.84
Rot. Bonds1

About (7R,8aR)-7-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-ol

(7R,8aR)-7-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-ol (PubChem CID 146395416) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is (7R,8aR)-7-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-ol.

Molecular Properties

Compound Name(7R,8aR)-7-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-ol
PubChem CID146395416
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name(7R,8aR)-7-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-ol
SMILESCC(C)[C@@H]1CCN2C(O)CC[C@@H]2C1
InChIInChI=1S/C11H21NO/c1-8(2)9-5-6-12-10(7-9)3-4-11(12)13/h8-11,13H,3-7H2,1-2H3/t9-,10-,11?/m1/s1
InChIKeyVWGWNKJGJKPJPW-DIOIDXFWSA-N
XLogP1.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R,8aR)-7-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-ol?
The IUPAC name of (7R,8aR)-7-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-ol (CID 146395416) is (7R,8aR)-7-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-ol.
What is the SMILES notation for (7R,8aR)-7-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-ol?
The canonical SMILES for (7R,8aR)-7-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-ol is CC(C)[C@@H]1CCN2C(O)CC[C@@H]2C1.
What is the InChIKey of (7R,8aR)-7-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-ol?
The InChIKey is VWGWNKJGJKPJPW-DIOIDXFWSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)9-5-6-12-10(7-9)3-4-11(12)13/h8-11,13H,3-7H2,1-2H3/t9-,10-,11?/m1/s1.
What are the key properties of (7R,8aR)-7-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-ol?
(7R,8aR)-7-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-ol has a molecular weight of 183.30 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aR)-7-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-ol is sourced from PubChem (CID 146395416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).