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

C13H16ClNO — CID 82857001

IUPAC1-(2-chlorophenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESOC1(c2ccccc2Cl)CCN2CCCC21
InChIInChI=1S/C13H16ClNO/c14-11-5-2-1-4-10(11)13(16)7-9-15-8-3-6-12(13)15/h1-2,4-5,12,16H,3,6-9H2
InChIKeyBFGWMNKPNYWQDV-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.40
Rot. Bonds1

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

1-(2-chlorophenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (PubChem CID 82857001) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
PubChem CID82857001
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name1-(2-chlorophenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESOC1(c2ccccc2Cl)CCN2CCCC21
InChIInChI=1S/C13H16ClNO/c14-11-5-2-1-4-10(11)13(16)7-9-15-8-3-6-12(13)15/h1-2,4-5,12,16H,3,6-9H2
InChIKeyBFGWMNKPNYWQDV-UHFFFAOYSA-N
XLogP2.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The IUPAC name of 1-(2-chlorophenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (CID 82857001) is 1-(2-chlorophenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The canonical SMILES for 1-(2-chlorophenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is OC1(c2ccccc2Cl)CCN2CCCC21.
What is the InChIKey of 1-(2-chlorophenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The InChIKey is BFGWMNKPNYWQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-11-5-2-1-4-10(11)13(16)7-9-15-8-3-6-12(13)15/h1-2,4-5,12,16H,3,6-9H2.
What are the key properties of 1-(2-chlorophenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
1-(2-chlorophenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol has a molecular weight of 237.73 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is sourced from PubChem (CID 82857001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).