1-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

C11H17N3O — CID 82856101

IUPAC1-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESCn1ccnc1C1(O)CCN2CCCC21
InChIInChI=1S/C11H17N3O/c1-13-8-5-12-10(13)11(15)4-7-14-6-2-3-9(11)14/h5,8-9,15H,2-4,6-7H2,1H3
InChIKeyORLQEAKCGMWRFK-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.48
Rot. Bonds1

About 1-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

1-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (PubChem CID 82856101) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
PubChem CID82856101
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESCn1ccnc1C1(O)CCN2CCCC21
InChIInChI=1S/C11H17N3O/c1-13-8-5-12-10(13)11(15)4-7-14-6-2-3-9(11)14/h5,8-9,15H,2-4,6-7H2,1H3
InChIKeyORLQEAKCGMWRFK-UHFFFAOYSA-N
XLogP0.48
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The IUPAC name of 1-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (CID 82856101) is 1-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is Cn1ccnc1C1(O)CCN2CCCC21.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The InChIKey is ORLQEAKCGMWRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-8-5-12-10(13)11(15)4-7-14-6-2-3-9(11)14/h5,8-9,15H,2-4,6-7H2,1H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
1-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol has a molecular weight of 207.28 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is sourced from PubChem (CID 82856101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).