2-propan-2-yl-1,3,5,6,7,8-hexahydropyrrolizin-2-ol

C10H19NO — CID 84653547

IUPAC2-propan-2-yl-1,3,5,6,7,8-hexahydropyrrolizin-2-ol
SMILESCC(C)C1(O)CC2CCCN2C1
InChIInChI=1S/C10H19NO/c1-8(2)10(12)6-9-4-3-5-11(9)7-10/h8-9,12H,3-7H2,1-2H3
InChIKeyJWAVXFQVJTXQJI-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.24
Rot. Bonds1

About 2-propan-2-yl-1,3,5,6,7,8-hexahydropyrrolizin-2-ol

2-propan-2-yl-1,3,5,6,7,8-hexahydropyrrolizin-2-ol (PubChem CID 84653547) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-propan-2-yl-1,3,5,6,7,8-hexahydropyrrolizin-2-ol.

Molecular Properties

Compound Name2-propan-2-yl-1,3,5,6,7,8-hexahydropyrrolizin-2-ol
PubChem CID84653547
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-propan-2-yl-1,3,5,6,7,8-hexahydropyrrolizin-2-ol
SMILESCC(C)C1(O)CC2CCCN2C1
InChIInChI=1S/C10H19NO/c1-8(2)10(12)6-9-4-3-5-11(9)7-10/h8-9,12H,3-7H2,1-2H3
InChIKeyJWAVXFQVJTXQJI-UHFFFAOYSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3,5,6,7,8-hexahydropyrrolizin-2-ol?
The IUPAC name of 2-propan-2-yl-1,3,5,6,7,8-hexahydropyrrolizin-2-ol (CID 84653547) is 2-propan-2-yl-1,3,5,6,7,8-hexahydropyrrolizin-2-ol.
What is the SMILES notation for 2-propan-2-yl-1,3,5,6,7,8-hexahydropyrrolizin-2-ol?
The canonical SMILES for 2-propan-2-yl-1,3,5,6,7,8-hexahydropyrrolizin-2-ol is CC(C)C1(O)CC2CCCN2C1.
What is the InChIKey of 2-propan-2-yl-1,3,5,6,7,8-hexahydropyrrolizin-2-ol?
The InChIKey is JWAVXFQVJTXQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)10(12)6-9-4-3-5-11(9)7-10/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,3,5,6,7,8-hexahydropyrrolizin-2-ol?
2-propan-2-yl-1,3,5,6,7,8-hexahydropyrrolizin-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,3,5,6,7,8-hexahydropyrrolizin-2-ol is sourced from PubChem (CID 84653547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).