1-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)-3-methylcyclopentane-1-carbonitrile

C14H22N2O — CID 82855550

IUPAC1-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)-3-methylcyclopentane-1-carbonitrile
SMILESCC1CCC(C#N)(C2(O)CCN3CCCC32)C1
InChIInChI=1S/C14H22N2O/c1-11-4-5-13(9-11,10-15)14(17)6-8-16-7-2-3-12(14)16/h11-12,17H,2-9H2,1H3
InChIKeyHTXWLRFXAZNLBJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.92
Rot. Bonds1

About 1-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)-3-methylcyclopentane-1-carbonitrile

1-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)-3-methylcyclopentane-1-carbonitrile (PubChem CID 82855550) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)-3-methylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)-3-methylcyclopentane-1-carbonitrile
PubChem CID82855550
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)-3-methylcyclopentane-1-carbonitrile
SMILESCC1CCC(C#N)(C2(O)CCN3CCCC32)C1
InChIInChI=1S/C14H22N2O/c1-11-4-5-13(9-11,10-15)14(17)6-8-16-7-2-3-12(14)16/h11-12,17H,2-9H2,1H3
InChIKeyHTXWLRFXAZNLBJ-UHFFFAOYSA-N
XLogP1.92
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)-3-methylcyclopentane-1-carbonitrile?
The IUPAC name of 1-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)-3-methylcyclopentane-1-carbonitrile (CID 82855550) is 1-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)-3-methylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)-3-methylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)-3-methylcyclopentane-1-carbonitrile is CC1CCC(C#N)(C2(O)CCN3CCCC32)C1.
What is the InChIKey of 1-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)-3-methylcyclopentane-1-carbonitrile?
The InChIKey is HTXWLRFXAZNLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-4-5-13(9-11,10-15)14(17)6-8-16-7-2-3-12(14)16/h11-12,17H,2-9H2,1H3.
What are the key properties of 1-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)-3-methylcyclopentane-1-carbonitrile?
1-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)-3-methylcyclopentane-1-carbonitrile has a molecular weight of 234.34 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)-3-methylcyclopentane-1-carbonitrile is sourced from PubChem (CID 82855550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).