1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole

C12H21N3O — CID 164922191

IUPAC1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole
SMILESCn1cccn1.OCC12CCCN1CCC2
InChIInChI=1S/C8H15NO.C4H6N2/c10-7-8-3-1-5-9(8)6-2-4-8;1-6-4-2-3-5-6/h10H,1-7H2;2-4H,1H3
InChIKeyFBBLQBITRLYEFE-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.03
Rot. Bonds1

About 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole

1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole (PubChem CID 164922191) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole.

Molecular Properties

Compound Name1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole
PubChem CID164922191
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole
SMILESCn1cccn1.OCC12CCCN1CCC2
InChIInChI=1S/C8H15NO.C4H6N2/c10-7-8-3-1-5-9(8)6-2-4-8;1-6-4-2-3-5-6/h10H,1-7H2;2-4H,1H3
InChIKeyFBBLQBITRLYEFE-UHFFFAOYSA-N
XLogP1.03
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole?
The IUPAC name of 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole (CID 164922191) is 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole.
What is the SMILES notation for 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole?
The canonical SMILES for 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole is Cn1cccn1.OCC12CCCN1CCC2.
What is the InChIKey of 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole?
The InChIKey is FBBLQBITRLYEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C4H6N2/c10-7-8-3-1-5-9(8)6-2-4-8;1-6-4-2-3-5-6/h10H,1-7H2;2-4H,1H3.
What are the key properties of 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole?
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole has a molecular weight of 223.32 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole is sourced from PubChem (CID 164922191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).