1-(2-methylprop-1-enyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

C11H19NO — CID 82855626

IUPAC1-(2-methylprop-1-enyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESCC(C)=CC1(O)CCN2CCCC21
InChIInChI=1S/C11H19NO/c1-9(2)8-11(13)5-7-12-6-3-4-10(11)12/h8,10,13H,3-7H2,1-2H3
InChIKeySFUQOBJBXVDHCM-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.55
Rot. Bonds1

About 1-(2-methylprop-1-enyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

1-(2-methylprop-1-enyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (PubChem CID 82855626) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(2-methylprop-1-enyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.

Molecular Properties

Compound Name1-(2-methylprop-1-enyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
PubChem CID82855626
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(2-methylprop-1-enyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESCC(C)=CC1(O)CCN2CCCC21
InChIInChI=1S/C11H19NO/c1-9(2)8-11(13)5-7-12-6-3-4-10(11)12/h8,10,13H,3-7H2,1-2H3
InChIKeySFUQOBJBXVDHCM-UHFFFAOYSA-N
XLogP1.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-1-enyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The IUPAC name of 1-(2-methylprop-1-enyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (CID 82855626) is 1-(2-methylprop-1-enyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.
What is the SMILES notation for 1-(2-methylprop-1-enyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The canonical SMILES for 1-(2-methylprop-1-enyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is CC(C)=CC1(O)CCN2CCCC21.
What is the InChIKey of 1-(2-methylprop-1-enyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The InChIKey is SFUQOBJBXVDHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)8-11(13)5-7-12-6-3-4-10(11)12/h8,10,13H,3-7H2,1-2H3.
What are the key properties of 1-(2-methylprop-1-enyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
1-(2-methylprop-1-enyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol has a molecular weight of 181.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-1-enyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is sourced from PubChem (CID 82855626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).