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

C12H21NO — CID 106590583

IUPAC1-(2-cyclopropylethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESOC1(CCC2CC2)CCN2CCCC21
InChIInChI=1S/C12H21NO/c14-12(6-5-10-3-4-10)7-9-13-8-1-2-11(12)13/h10-11,14H,1-9H2
InChIKeyVXEYWQKCIPNNCN-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.78
Rot. Bonds3

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

1-(2-cyclopropylethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (PubChem CID 106590583) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
PubChem CID106590583
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(2-cyclopropylethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESOC1(CCC2CC2)CCN2CCCC21
InChIInChI=1S/C12H21NO/c14-12(6-5-10-3-4-10)7-9-13-8-1-2-11(12)13/h10-11,14H,1-9H2
InChIKeyVXEYWQKCIPNNCN-UHFFFAOYSA-N
XLogP1.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 101202509
(1S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 163074803
1-(3-phenylpropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82855864
1-[(2,6-dimethylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856895
2-(1-hydroxy-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-yl)acetic acid
CID 83909842
1-[(3-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82857000
7-methyl-7-propyl-1,2,3,5,6,8-hexahydropyrrolizine
CID 154510933
1-[(3,5-difluorophenyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 105402722
1-(2-cyclopropylethyl)cyclopropan-1-ol
CID 91129908
1-[(2-bromo-5-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82855647
1-[(2-bromo-4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856124
1-(2-cyclopropylethyl)cyclohexan-1-ol
CID 106590346

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The IUPAC name of 1-(2-cyclopropylethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (CID 106590583) is 1-(2-cyclopropylethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.
What is the SMILES notation for 1-(2-cyclopropylethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The canonical SMILES for 1-(2-cyclopropylethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is OC1(CCC2CC2)CCN2CCCC21.
What is the InChIKey of 1-(2-cyclopropylethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The InChIKey is VXEYWQKCIPNNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c14-12(6-5-10-3-4-10)7-9-13-8-1-2-11(12)13/h10-11,14H,1-9H2.
What are the key properties of 1-(2-cyclopropylethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
1-(2-cyclopropylethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol has a molecular weight of 195.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is sourced from PubChem (CID 106590583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).